Have you kept your ear to the ground? Felt something on the breeze? Getting a "gut feeling"?
The most recent edition of Chemistry Bumper Cars - Faculty Moves, for the uninitiated - leans towards bigger deals and dramatic poaches as the Fall term looms over the Summer horizon. Here's the latest I've heard about, with my own opinion about whether the rumor holds water.
Dave MacMillan to leave Princeton, for...?
Odds: Low
I hear what you're saying: MacMillan has already moved twice (Berkeley -> Caltech -> Princeton), and we're talking about a researcher who averages an award every year and a new named professorship every four. However, he's fairly well settled into a tight relationship with Merck, who are local to NJ. He's also helped propel Princeton back up in the rankings over the past decade. I can think of only one university that sounds like any kind of a step up, and they have plenty of organic power at the moment.
Dirk Trauner to NYU
Odds: Medium
Though I've heard this more than once, I'm scratching my head about how it makes sense for Trauner. Part of his motivation in returning to LMU was to continue the Mulzer mystique: the powerhouse European natural products group that makes densely-functionalized products appear as if by magic. Then again, NYU seems to be aggressively searching for a certain kind of chemist; maybe Dirk is slated to be the new Phil Baran of the East Coast?*
Update: As seen in the comments, Dirk himself confirms. My gracious thanks to the Professor.
Tom Rovis to Columbia
Odds: Certain
Signed, sealed, and delivered to Columbia back in the Spring.
Dave Liu to Broad from Harvard
Odds: Low
First he was an undergraduate wunderkind with Corey, now one of the youngest Full Professors and an HHMI scholar, all before age 40. He's already a core faculty member with Broad while managing his Harvard group, and I see no reason for Harvard (or for Liu) to wish to terminate his current position. This may sound like wild speculation or stargazing, but I fully suspect Liu's name goes on a nomination for a Big Prize within ~5 yrs, and I think Harvard would do everything they could to keep him in the fold for that day.
Update: As noted in the comments, does appear Liu will have to be physically present on the Broad's campus.
Karen Goldberg to leave U. Washington
Odds: Low
I very much want to believe, especially since UW lost Jim Mayer a few years back, that they can retain Goldberg, a C-H activation and general OM superstar. She boasts a local Center and a named professorship, as well as a Department with plenty of talented young blood: Boydston, Bush, Cossairt, Fu, Lalic, Schlenker, Theberge, Zalatan, all hired in just the last 6 years, doubtless some drawn there through her influence. I'm sure she'd succeed at a Caltech or an MIT, but I really don't know enough about her motivations to say any more conclusively.
Greg Verdine leaves Harvard to run companies full-time
Odds: High
It's said you can throw a rock in Cambridge these days and hit a VC. Seeing how much apparent fun and success Verdine has had with his previous ventures into the private sector, I'm betting he continues this line full-time and slowly winds down managing theses and group meetings.
--
*Today's ridiculous statistic: In the past 20 years, Baran and Trauner have authored a combined 372 research papers. That's 2-3 entire careers, and these are guys with 20+ years ahead of them. Damn.
Showing posts with label organometallics. Show all posts
Showing posts with label organometallics. Show all posts
Saturday, July 9, 2016
Thursday, February 13, 2014
Cyclobutanone Déjà vu
Didn't I just see that reaction? [rubs eyes]
From the laboratory of Prof. Nicolai Cramer (EPF Lausanne) comes some really neat examples of cyclobutanone C-C activation. Just mix with ~2 mol% of cationic Rh(I), and presto! Out comes a [3.1.2] bicyclo product reminiscent of several neuroactive natural products.
Oftentimes, a catalytic reaction will go gangbusters, but will stubbornly refuse all attempts at asymmetric induction. Apparently not so here - Cramer reports the asymmetric version in ACIEE about two weeks after the initial Organometallics report!
Honestly, I might never have noticed, except the TOC graphics for both are nearly identical: a comic pair of orange scissors "snipping" apart the cyclobutanone ring.
So, readers, what's your take? Can't wait to see this reaction applied to a challenging target? Or, a strange choice of synthetic "least publishable units" (LPUs)?
From the laboratory of Prof. Nicolai Cramer (EPF Lausanne) comes some really neat examples of cyclobutanone C-C activation. Just mix with ~2 mol% of cationic Rh(I), and presto! Out comes a [3.1.2] bicyclo product reminiscent of several neuroactive natural products.
Oftentimes, a catalytic reaction will go gangbusters, but will stubbornly refuse all attempts at asymmetric induction. Apparently not so here - Cramer reports the asymmetric version in ACIEE about two weeks after the initial Organometallics report!
![]() |
| Angew. Chem. Int. Ed. 2014, ASAP |
![]() |
| Organometallics 2014, ASAP |
So, readers, what's your take? Can't wait to see this reaction applied to a challenging target? Or, a strange choice of synthetic "least publishable units" (LPUs)?
Friday, August 16, 2013
Catching Copper's Ghosts
Copper, copper, everywhere (and much more than you'd think). It's found in coins, wiring, statues, paints, and even as part of a balanced diet. Chemists, in particular, have long loved copper for its ready availability, well-defined redox states, and its wealth of reactions; just last week, Prof. Sherry Chemler (SUNY-Buffalo) recounted nearly 100 years of copper's catalytic successes* in a Science perspective.
Though scientists have long studied copper-catalyzed reaction, several short-lived, unstable intermediates
have defied characterization. Now, Profs. Craig Ogle and Steven Bertz (UNC-Charlotte) may have caught one of these ghosts: an elusive C=O copper pi complex. Using rapid-injection techniques at -100 degrees C, the team "freezes out" the complex, which they study by 2D NMR (which shows relative positions of various atoms) and cryoloop X-ray crystallography (shows absolute position in a fixed crystal lattice).
When the team warms the compound much above -10 degrees C, it immediately falls apart.
Isolating otherwise reactive intermediates lets us peer inside** the "black box" of catalysis. In this structure, the lithium atom tugs at the oxygen's lone pair, allowing the copper to slip into pi-coordination in a "side-on" fashion. Though it's tough to see from this picture (left), the authors point out that five atoms (O, C, Cu, Me-a, Me-b) all sit together in one plane, which validates earlier NMR models. Finally, there's some hints of reactive fate here, as the "bottom" methyl group shortens up, preparing to jump off the copper atom and onto the central carbon, while at the same time, the copper atom cozies up to the oxygen. Remarkable stuff.
* And that was just on one class of reactions!
**The deeper we look, the more crazy, head-scratching stuff we find. Ask your local organometallic enthusiast for more info...
![]() |
| Source: Ogle / Bertz group | Angew. Chem. |
Though scientists have long studied copper-catalyzed reaction, several short-lived, unstable intermediates
have defied characterization. Now, Profs. Craig Ogle and Steven Bertz (UNC-Charlotte) may have caught one of these ghosts: an elusive C=O copper pi complex. Using rapid-injection techniques at -100 degrees C, the team "freezes out" the complex, which they study by 2D NMR (which shows relative positions of various atoms) and cryoloop X-ray crystallography (shows absolute position in a fixed crystal lattice).
When the team warms the compound much above -10 degrees C, it immediately falls apart.
Isolating otherwise reactive intermediates lets us peer inside** the "black box" of catalysis. In this structure, the lithium atom tugs at the oxygen's lone pair, allowing the copper to slip into pi-coordination in a "side-on" fashion. Though it's tough to see from this picture (left), the authors point out that five atoms (O, C, Cu, Me-a, Me-b) all sit together in one plane, which validates earlier NMR models. Finally, there's some hints of reactive fate here, as the "bottom" methyl group shortens up, preparing to jump off the copper atom and onto the central carbon, while at the same time, the copper atom cozies up to the oxygen. Remarkable stuff.
* And that was just on one class of reactions!
**The deeper we look, the more crazy, head-scratching stuff we find. Ask your local organometallic enthusiast for more info...
Labels:
Bertz,
Chemler,
cool reactions,
copper,
Ogle,
organometallics,
science,
X-ray
Saturday, June 8, 2013
Pyramid Power!
Atop the energy barrier between hardcore synthetic jocks and dyed-in-the-wool physical chemists lives a dedicated group: the molecular architects. A craving for perfect Platonic shapes, combined with the need to push the limits of bond and orbital theory, drive them towards projects like bullvalenes, cubane, or buckyballs. Despite the obvious challenges - bullvalenes shift and change, cubanes feel some strain - the structures' aesthetic appeal keeps us coming back for more.
Well, another class of shapely compounds seems poised to fall. Enter Pyramidanes*:
Reported a few days back in JACS by a collaboration between Japanese, French, and Russian scientists, the near-tetrahedral compounds are within shouting distance of an all-carbon version, never synthesized by human hands. I gotta say, they look pretty awesome. Just staring at it brings up so many questions: what's the hybridization of that top atom? How much strain energy? Could you make some schnazzy ligands from it? How labile is that Sn, anyway? Does this thing blow apart in TBAF?
The crew provides an in-depth discussion of frontier MO theory**, bond orders (fractional all around,
from 0.4-0.7), and NMR properties, concluding that there's a decent structural contribution from the ionic resonance form (see below).
The authors even suggest that the "cyclobutadiene" moiety - the pyramid "base" - can be stuck onto other metals; stable pyramidanes might work as strained-ring storage capsules.
Now I'm excited for the all-carbon version, which (theory predicts) has a lone pair at the apex...crazy!
---
*For the absurdly technical or IUPAC-minded, the authors offer alternative names such as tetracyclo-[2.1.0.0.0] pentane, or (my favorite) [3.3.3.3]fenestrane
**N.B. I'm no p-chemist, so someone else can go through the nitty-gritty there...
Well, another class of shapely compounds seems poised to fall. Enter Pyramidanes*:
![]() |
| Source: JACS | Lee, Sekiguchi |
The crew provides an in-depth discussion of frontier MO theory**, bond orders (fractional all around,
from 0.4-0.7), and NMR properties, concluding that there's a decent structural contribution from the ionic resonance form (see below).
The authors even suggest that the "cyclobutadiene" moiety - the pyramid "base" - can be stuck onto other metals; stable pyramidanes might work as strained-ring storage capsules.
Now I'm excited for the all-carbon version, which (theory predicts) has a lone pair at the apex...crazy!
---
*For the absurdly technical or IUPAC-minded, the authors offer alternative names such as tetracyclo-[2.1.0.0.0] pentane, or (my favorite) [3.3.3.3]fenestrane
**N.B. I'm no p-chemist, so someone else can go through the nitty-gritty there...
Wednesday, October 24, 2012
Chem Coach Carnival, Day Three
Chemists everywhere! It's not too late to play. Send an email along to seearroh_AT_gmail if you still want to take part.
Day 1
Day 1
21. Dr. Bodwin, Prof. and Dept. Chair, "Mysterious State U. Midwest." Dr. Bodwin blogs at Everything Under the Copper Sun, Science of Cooking (hmmm...), and maintains electronic lab notebooks at Dr. Bodwin's Electronic Notebook. Call him a faculty leader, recruiter, teacher, budget-maker, just don't call him an "administrator." Dr. Bodwin's story of a grad school "mistake" led him to a whole bunch of unexpected papers...and half his thesis.
22. Chad, physical chemistry graduate student. Chad blogs at The Collapsed Wavefunction. He claims, like many, that there's no "standard day," and his hours seem to run to grad school extremes. Chad, like many, did a two-year stint in industry before returning to grad school. He plays card games while the laser warms up. Chad recommends learning how to pronounce names of famous chemists before you have to speak them aloud at oral presentations (Good advice!).
23. Dr. Rubidium, Evil Genius / Supervillain. Dr. Rb blogs at JAYFK, Thirty-Seven, and maintains a rockin' Twitter feed. I'm fairly certain she has the henchmen claimed in the post, somewhere deep underground. Dr. Rb walks us through the convoluted world of villains: hierarchy, daily routine, and career objectives. Oh yeah, and forensic science appears in there, somehow. BWAHAHAHA!
24. Michael, grad student / blogger. He blogs at The Organometallic Reader and Cheersical Education. Michael's interests lean heavily towards pedagogy, as one can see from his fantastic organometallic lectures (online). For those who want to teach? "Start early; there's a tired old fogey out there waiting for your youth and enthusiasm." He enjoys long walks on the beach, being recognized on campus solely by voice, and anthropomorphizing chemical events.
25. Marcel, Research Prof. / Computational Chemist, University of Girona. Marcel blogs at Trends in Science. He's an "excellent scientist, performing breathtaking research." Marcel inherited a love of numbers from his accountant father, and feels his postdoc(s) taught him a lot concerning project management. Ask him about how chemistry miraculously 'cured' him of mono...
26. Derek, Research Fellow, Vertex. Derek blogs at In the Pipeline - we consider him the "blogfather" for the chemblogosphere. Derek provides a fantastic med-chem primer, touching briefly on the joys of bench work, project management, binding pockets, and what it's like to bounce around multiple companies. Some of his reactions still form sticky maroon tars; not just yours and mine. Some caveats? "Never talk yourself out of an easy experiment," and "never assume your future grad advisor won't call you in the middle of the night." ; )
27. Darren, Patent Attorney, EIP Elements. Darren blogs at The IP Alchemist (catchy!). He shows us bench types a different aspect, namely examining prior art, and how new ideas become patentable. He's fluent in Japanese; a fringe benefit of the trade (and a postdoc spent in Japan!). Darren's frequent travel to fun and exciting locales makes me dream of a career in the IP office.
28. Janet, Science Philosopher, SJSU. Janet blogs at SciAm's Doing Good Science, as well as Scientopia's Adventures in Ethics and Science. She helps people who are "scared of science" learn about where it comes from. Janet's actually a "double Doctor" - chemistry and philosophy - which you certainly don't see every day. Have a peek at her Philo 133 syllabus, quiz her about the importance of lab safety, or ask about rubbing elbows with Nobelists (twice!).
29. Mark, Applications Scientist, Rigaku Raman. Mark's full entry is published below:
Your current job: I’m working as an Applications Scientist for a portable Raman instrument company. I’ve enjoyed spectroscopy since graduate school and this position is a good fit for my scientific interests. Because my company is a small startup, it will be a great learning opportunity to develop business skills. The company has a unique product offering for their market, and I’m confident that we’ll be successful.
What you do in a standard work day: My current position is new, so most of my initial activities have involved training on our equipment and software, sharing insight with coworkers into the c-GMP environment, getting to know our sales force, and learning key marketing messages for the product. I’ve also begun writing an application note and trade publication articles, as well as helping to edit the user manual. Because I am a field based employee, I participate in a lot of teleconferences. I’ll also travel to visit customers, help to train the sales force, and work at trade shows. My position will involve product marketing and seeking out business development opportunities.
A position like this requires soft business skills in addition to technical knowledge. The ability to network and collaborate with project teams, organize work activity, communicate with customers and coworkers, and frequently delegate without authority are all key to succeeding.
What kind of schooling / training / experience helped you get there? I went to graduate school at a small university and earned a terminal Master’s degree in physical chemistry, specializing in FTIR and Raman spectroscopy. I’ve held a variety of industrial and pharmaceutical R&D positions as an analytical chemist and also have prior experience as an Applications Scientist with a large analytical instrumentation company. My current position will draw upon that experience base.
I’ve learned that networking is critical career development, not only in finding a new position but also building collaborations to accomplish business goals. Also, participation and volunteering in professional organizations, such as a local American Chemistry Society section provides opportunities to develop soft skills.
How does chemistry inform your work? I use my understanding of chemistry to help customers select the best solution for their problems or processes.
Finally, a unique, interesting, or funny anecdote about your career: I’m part of a dual chem-career couple. My wife is a PhD chemist and is currently manager of an analytical group at a specialty chemical company. We’ve found that geography is critical for dual chem-couples; there really needs to be enough industry where you live to support both careers. Early in our careers, we worked at the same company. Seeing the “writing on the wall” we found new positions and relocated before facing a dual lay-off situation. Altogether, we’ve been really lucky with our jobs so far and work to be supportive of each other’s career growth.
30. Nathan, Computational Chemist. Nathan's full entry published below:
Your current job.
For the past 5 years I’ve led the In Silico Medicinal Chemistry research group at the Institute of Cancer Research in London. I started off as a computer scientist in my undergrad days but moved into chemistry (chemoinformatics) when I joined Prof. Peter Willett’s lab in Sheffield. I’ve had a bit of an unorthodox path to where I am today.
What do you do in a standard “work day”.
My job is now very reactive, which has changed since my time before joining the ICR when my day job was mainly programming. I support both my group and oversee support for our therapeutic projects. This involves lots of computational methods, such as: virtual library design; multi-objective prioritization; docking; pharmacophore searching; building and validating predictive models in QSAR approaches. Much of my work involves assessing the vast space of virtual compounds we could make, but we are unable to in resource-limited academia.
We are a post-graduate college of The University of London so a lot of my time is devoted to supporting our PhD students and PostDocs advising them on tools and techniques to apply in their projects. I also spend a lot of time writing papers with my colleagues, from basic computational methods right through to our teamwork on drug discovery programmes. I am also currently editing my second book, Scaffold Hopping in Medicinal Chemistry, following one that was released recently: Bioisosteres in Medicinal Chemistry.
This year we’ve also had quite a few external visitors, which has led to a few TV appearances on British television on BBC Horizon and Newsnight. You can see the programme on ‘Defeating Cancer’ here: http://www.youtube.com/watch? v=7TyB07imDug&t=42m53s
What kind of schooling / training / experience helped you get there?
I have a first degree in computer science, which was followed by a PhD from Prof. Willett’s lab in Sheffield. In my undergrad life I focused on evolutionary algorithms, particularly writing software to simulate adaptive artificial life models. It was this initial interest in ‘writing software that writes itself’ that led me to work with Peter in Sheffield. I followed this with a Marie Curie Fellowship at Avantium Technologies, Amsterdam and Prof. Johnny Gasteiger in Erlangen for two years and a Presidential Fellowship at Novartis in Basel for another three years.
I never really wanted to work in IT but wanted to use computers to answer questions in other disciplines. I think the most useful experiences I’ve had is working with colleagues from other fields. I find these interactions very rewarding, particularly if you’re unafraid to ask questions that might seem silly. An orthogonal viewpoint has put me in good stead.
Throughout my career, my academic mentors have instilled the clear importance of the scientific method. It is so important in computational sciences to ensure that we do not become beholden to our own ideas because a computer will tell you what you want to hear. At least in real chemistry Mother Nature will give you a slap and say, “No!” The computer often says, “Yes!” This can lead to what I term the ‘pretty picture’ syndrome in some computational work. I always advise my students accordingly to clearly state the hypothesis and how they’re going to test it.
How does chemistry inform your work?
I use mathematics a lot to try and explain chemical phenomena. This is not all that different to scientists in the 19th century who used mathematical representations of molecules with the advent of atomistic theory. One of my mentors referred to a chemical reaction as a context-dependent mathematical graph transform, and in the abstract this is true. I like to look back over old papers and not taken common methods for granted. It is always important to understand how different computational algorithms work: with understanding comes control and can only contribute positively to our work.
There is a famous quote from Feynman: "If it disagrees with experiment it is wrong." This should be the mantra of the computational scientist in whatever field. Our models and predictions must be reduced to practice often to both test our hypotheses but also provide a feedback loop into the system. Therefore, chemistry is fundamental to this. If I suggest a compound that does not fulfil my predicted potential, I have wasted substantially more of someone's time in the lab than in my blase prediction. Due to this, I spend a lot of time doing my best to validate my methods as often as possible.
Finally, a unique, interesting, or funny anecdote about your career.
Although I’m an in silico medicinal chemist, I have been tempted into the lab on occasion. A few years ago I spent a day in the lab working on a halogen dance rearrangement. On my way home that evening I came off my bike, breaking my arm and dislocating my shoulder. Irrationally, I blame working in the lab and that was the end of my synthetic organic chemistry career to date. I knew synthesis was dangerous, but didn’t expect this to be the result.
31. Mike, Technical Editor / Webmaster, AATCC. Mike's full entry published below:
I morphed into science writing unexpectedly, and late in my 30+ year career. I have a BS, Chemistry from the University of Virginia and an MS, Chemistry from Colorado State University, and have been an ACS member since 1980.
Someone once told me that chemists can do practically anything. I didn’t believe them then. I do now!
My loves are natural products/synthetic organic chemistry, astronomy, and meteorology. Was a research chemist primarily in health care products industry. Got swept up in the lure of computer-aided chemistry tools, especially molecular modeling. Learned Unix on my own back in the 1990s. Discovered what “gophers” were, and then, hearing about the Web, realized something big was coming. Got out of the lab and became a webmaster contracting with the National Institute of Environmental Health Sciences for two years. I then rode out the internet boom and bust, until landing my current gig as technical editor of scientific articles and webmaster for the American Association of Textile Chemists and Colorists in 2003.
Adaptability is the key to success in today’s world. I would have never guessed ten years ago that I would have enjoyed being an editor and writer. These were “hidden” talents, until the opportunity presented itself. Even more surprising was finding out that I could write for the public! I had long desired to do this, but didn’t think I had the ability. Two mentors at AATCC convinced me otherwise. As a result of their encouragement, I won a Gold Tabbie Award in 2011 for one of my newsletter articles.
I write articles for AATCC News, the association’s newsletter, relating to textile science. This includes chemistry’s intersection with the larger world of textiles: including fashion! Can you imagine: science on the runway! It’s both fun, challenging, and there is so much to learn!
Most recently, I’ve been an active proponent of social media as an engagement tool. Our Association’s LinkedIn site has become a major textile industry resource. I have little time to blog, but love microblogging (Twitter).
My advice: Do what you love, no matter what, but don’t hesitate taking opportunities to test new skills that broaden your experience. If you want to write, start on Twitter. It’s a great place to meet like-minded people and get your feet wet. Finally, be sure to keep a sense of humor about yourself and what you do-it helps when times are tough.
>>>
>>>
>>>
>>>
32. Late Addition, just under the wire: B.R.S.M., postdoc / blogger, UK (and soon to be in the US of A!). Blogs 'eponymously' at BRSM. A true synthetic chemist, he's proud to "wear the white coat" and work at the bench. I'mjealous amazed that he's achieved so much at such a young age; blame credit the shortened British Ph.D. Seriously, though, BRSM enjoys the freedom of not being bound by grants or teaching (for now). He's prepared for a lifetime of learning...and to learn organic "in-jokes" whenever possible.
30. Nathan, Computational Chemist. Nathan's full entry published below:
Your current job.
For the past 5 years I’ve led the In Silico Medicinal Chemistry research group at the Institute of Cancer Research in London. I started off as a computer scientist in my undergrad days but moved into chemistry (chemoinformatics) when I joined Prof. Peter Willett’s lab in Sheffield. I’ve had a bit of an unorthodox path to where I am today.
What do you do in a standard “work day”.
My job is now very reactive, which has changed since my time before joining the ICR when my day job was mainly programming. I support both my group and oversee support for our therapeutic projects. This involves lots of computational methods, such as: virtual library design; multi-objective prioritization; docking; pharmacophore searching; building and validating predictive models in QSAR approaches. Much of my work involves assessing the vast space of virtual compounds we could make, but we are unable to in resource-limited academia.
We are a post-graduate college of The University of London so a lot of my time is devoted to supporting our PhD students and PostDocs advising them on tools and techniques to apply in their projects. I also spend a lot of time writing papers with my colleagues, from basic computational methods right through to our teamwork on drug discovery programmes. I am also currently editing my second book, Scaffold Hopping in Medicinal Chemistry, following one that was released recently: Bioisosteres in Medicinal Chemistry.
This year we’ve also had quite a few external visitors, which has led to a few TV appearances on British television on BBC Horizon and Newsnight. You can see the programme on ‘Defeating Cancer’ here: http://www.youtube.com/watch?
What kind of schooling / training / experience helped you get there?
I have a first degree in computer science, which was followed by a PhD from Prof. Willett’s lab in Sheffield. In my undergrad life I focused on evolutionary algorithms, particularly writing software to simulate adaptive artificial life models. It was this initial interest in ‘writing software that writes itself’ that led me to work with Peter in Sheffield. I followed this with a Marie Curie Fellowship at Avantium Technologies, Amsterdam and Prof. Johnny Gasteiger in Erlangen for two years and a Presidential Fellowship at Novartis in Basel for another three years.
I never really wanted to work in IT but wanted to use computers to answer questions in other disciplines. I think the most useful experiences I’ve had is working with colleagues from other fields. I find these interactions very rewarding, particularly if you’re unafraid to ask questions that might seem silly. An orthogonal viewpoint has put me in good stead.
Throughout my career, my academic mentors have instilled the clear importance of the scientific method. It is so important in computational sciences to ensure that we do not become beholden to our own ideas because a computer will tell you what you want to hear. At least in real chemistry Mother Nature will give you a slap and say, “No!” The computer often says, “Yes!” This can lead to what I term the ‘pretty picture’ syndrome in some computational work. I always advise my students accordingly to clearly state the hypothesis and how they’re going to test it.
How does chemistry inform your work?
I use mathematics a lot to try and explain chemical phenomena. This is not all that different to scientists in the 19th century who used mathematical representations of molecules with the advent of atomistic theory. One of my mentors referred to a chemical reaction as a context-dependent mathematical graph transform, and in the abstract this is true. I like to look back over old papers and not taken common methods for granted. It is always important to understand how different computational algorithms work: with understanding comes control and can only contribute positively to our work.
There is a famous quote from Feynman: "If it disagrees with experiment it is wrong." This should be the mantra of the computational scientist in whatever field. Our models and predictions must be reduced to practice often to both test our hypotheses but also provide a feedback loop into the system. Therefore, chemistry is fundamental to this. If I suggest a compound that does not fulfil my predicted potential, I have wasted substantially more of someone's time in the lab than in my blase prediction. Due to this, I spend a lot of time doing my best to validate my methods as often as possible.
Finally, a unique, interesting, or funny anecdote about your career.
Although I’m an in silico medicinal chemist, I have been tempted into the lab on occasion. A few years ago I spent a day in the lab working on a halogen dance rearrangement. On my way home that evening I came off my bike, breaking my arm and dislocating my shoulder. Irrationally, I blame working in the lab and that was the end of my synthetic organic chemistry career to date. I knew synthesis was dangerous, but didn’t expect this to be the result.
31. Mike, Technical Editor / Webmaster, AATCC. Mike's full entry published below:
I morphed into science writing unexpectedly, and late in my 30+ year career. I have a BS, Chemistry from the University of Virginia and an MS, Chemistry from Colorado State University, and have been an ACS member since 1980.
Someone once told me that chemists can do practically anything. I didn’t believe them then. I do now!
My loves are natural products/synthetic organic chemistry, astronomy, and meteorology. Was a research chemist primarily in health care products industry. Got swept up in the lure of computer-aided chemistry tools, especially molecular modeling. Learned Unix on my own back in the 1990s. Discovered what “gophers” were, and then, hearing about the Web, realized something big was coming. Got out of the lab and became a webmaster contracting with the National Institute of Environmental Health Sciences for two years. I then rode out the internet boom and bust, until landing my current gig as technical editor of scientific articles and webmaster for the American Association of Textile Chemists and Colorists in 2003.
Adaptability is the key to success in today’s world. I would have never guessed ten years ago that I would have enjoyed being an editor and writer. These were “hidden” talents, until the opportunity presented itself. Even more surprising was finding out that I could write for the public! I had long desired to do this, but didn’t think I had the ability. Two mentors at AATCC convinced me otherwise. As a result of their encouragement, I won a Gold Tabbie Award in 2011 for one of my newsletter articles.
I write articles for AATCC News, the association’s newsletter, relating to textile science. This includes chemistry’s intersection with the larger world of textiles: including fashion! Can you imagine: science on the runway! It’s both fun, challenging, and there is so much to learn!
Most recently, I’ve been an active proponent of social media as an engagement tool. Our Association’s LinkedIn site has become a major textile industry resource. I have little time to blog, but love microblogging (Twitter).
My advice: Do what you love, no matter what, but don’t hesitate taking opportunities to test new skills that broaden your experience. If you want to write, start on Twitter. It’s a great place to meet like-minded people and get your feet wet. Finally, be sure to keep a sense of humor about yourself and what you do-it helps when times are tough.
>>>
>>>
>>>
>>>
32. Late Addition, just under the wire: B.R.S.M., postdoc / blogger, UK (and soon to be in the US of A!). Blogs 'eponymously' at BRSM. A true synthetic chemist, he's proud to "wear the white coat" and work at the bench. I'm
Friday, June 15, 2012
Adventures in Publication: Malaria Sandwich
Hot on the heels of the recent ferrocene-based carbonic anhydrase inhibitors (see Pipeline or Chemistry Blog for more perspective) comes a few more medicinally-inclined sandwich compounds. Published in back to back ASAPs, the new leads stitch together an antimalarial quinoline and a glycoside with some ferrocenyl 'Scotch tape.' The resulting "novel trifunctional conjugates" purport to treat chloroquine-resistant P. falciparum strains with low-micromolar potency.
A few salient questions: First, if these compounds represent med-chem advances, why are they in Organometallics, of all places? Surely this wasn't the first Editor's desk they landed upon! Second, both papers seem to be variations on a theme, so why not just combine them and make one stronger paper? Lastly, can anyone interpret the stereochemistry shown in this intermediate? It's drawn to suggest a chiral acetal; my o-chem 'spider sense' says that cannot be.
To my med-chem inclined readers: what do you make of these molecules? Bandwagon hype, or real advance?
Update, 6/15/12 - Changed figure caption, and "ketal" to "acetal"
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| Chirality? At that carbon? |
To my med-chem inclined readers: what do you make of these molecules? Bandwagon hype, or real advance?
Update, 6/15/12 - Changed figure caption, and "ketal" to "acetal"
Thursday, February 9, 2012
Knights of the Periodic Table
Last night, while reading through the Feb. 6 issue of C&EN, I found myself terribly amused by the inside back cover. The ad, for ACS journal Organometallics (*now under new management!), encouraged readers to check out their 2011 Roundtable. This panel of distinguished chemists met together last year to opine on issues ranging from new research frontiers and publication strategies to the role of basic research in developing new industrial reactions.
A hand-drawn cartoon, purportedly of chemists in concilium adorns the article. Clearly, the artist intends for this to be modern-day: laptop computers, desk chairs, and a multinational group discuss science with rapt attention.
But the picture I found so funny wasn't this one, but instead the magazine cartoon, which re-imagined the same meeting as if the chemists were members of King Arthur's court. Which got me to thinking - I've dabbled a bit in catalysis and complexes, so who would I want on my round table?
I've taken the liberty of labeling the photo with my potential knights. Readers, with whom would you want toride into battle discuss organometallic chemistry?
A hand-drawn cartoon, purportedly of chemists in concilium adorns the article. Clearly, the artist intends for this to be modern-day: laptop computers, desk chairs, and a multinational group discuss science with rapt attention.
But the picture I found so funny wasn't this one, but instead the magazine cartoon, which re-imagined the same meeting as if the chemists were members of King Arthur's court. Which got me to thinking - I've dabbled a bit in catalysis and complexes, so who would I want on my round table?
I've taken the liberty of labeling the photo with my potential knights. Readers, with whom would you want to
Labels:
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Thursday, August 11, 2011
Interview: Prof. Eric Schelter, University of Pennsylvania
(A few weeks back, I posted about rare earth chemistry, and how insufficient domestic supply may hurt new-tech industries in the US. Prof. Eric Schelter, a Professor of Inorganic and Materials Chemistry, graciously spoke with me about his research)
ES: I became interested in inorganic chemistry through interaction with my excellent undergrad mentor, Prof. Rudy Luck at Michigan Tech. Rudy set me up with a synthetic project on a dihydrogen complex of rhenium. This experience was quite formative as Rudy also got me interested in Texas A&M for grad school (he was a postdoc at TAMU). Also, the exposure to dihydrogen complexes introduced me to Los Alamos National Laboratory through the work of Greg Kubas.
SAO: We've read in National Geographic and Discover about rare earth usage in smartphones, hybrid cars, and military applications. Can you give examples of other industries that rely heavily on these metals?
ES: There is currently no comprehensive long term strategy to address the US supply crisis and no strategic reserve of REs. A single supplier (Molycorp) of REs exists in the US, but rare earths are not rare - there are reserves of light and heavy rare earths in many places in the lower 48 [states] and in Alaska. There is a great opportunity here for scientists to help meet an important need by improving methods of obtaining pure RE materials.
SAO: How does your research address the rare earth supply problem?
ES: Much of the cost, time, and energy in obtaining rare earths is concentrated at the separations stage. We're working on new separations chemistry from several angles. In work sponsored by the DOE we're developing a new extractant strategy for use in liquid-liquid separations. We expect to contribute to a renewed domestic supply chain by targeting certain high value REs and improving the efficiency and reducing the environmental impact of their separations. We are also exploring fundamental redox chemistry of REs for application to separations.
SAO: Tell me something fun about yourself, your research, or your group.
ES: I am a complete /Lord of the Rings /enthusiast (freak) and am anxiously awaiting the film release of The Hobbit: An Unexpected Journey (SAO: Me too!)
Update (8/11, 8:45AM): Carmen & CEN YouTube Channel recently covered Eric's chemistry
SAO: How did you become interested in inorganic / organometallic chemistry, and rare earth / actinide chemistry specifically?
In grad school at TAMU I did more synthesis and worked on electronic structure with Kim Dunbar. Working with Kim and her group was a great experience to learn X-ray crystallography, magnetism and electrochemistry. I had an interest in working with actinides so I pursued the LANL postdoc where I learned some uranium and thorium chemistry with Jackie Kiplinger and lanthanide chemistry with Kevin John. My interests in magnetism and f-block chemistry dovetailed nicely for starting my independent career in rare earths and energy science at Penn.
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| Prof. Eric Schelter (credit: UPenn) |
SAO: We've read in National Geographic and Discover about rare earth usage in smartphones, hybrid cars, and military applications. Can you give examples of other industries that rely heavily on these metals?
ES: In general, rare earth magnetic materials are very important in many industries. Rare earth (RE) permanent magnets, primarily NdFeB, are used in the wind energy industry in large capacity turbine generators. The permanent magnets are also used in hard drives. Fluorescent lighting depends on phosphor materials that contain REs, especially europium and terbium. Neodymium is also used is lasers. Lanthanum and cerium are important catalysts in FCC [Fluid catalytic cracking] petroleum refining. Erbium is used in amplifiers for fiber optic communication. Yttrium is a critical component of high temperature superconducting materials. Gadolinium has an important use in medicine as a contrast agent in magnetic resonance imaging. This is by no means an exhaustive list.
SAO: Given the supply problem (the US currently does not produce enough rare earths for domestic industry), what is our long-term strategy to obtain more? Do we have a reserve, like the Strategic Petroleum Reserve, that we can operate from? Or will new mining and separation techniques be the answer?
SAO: How does your research address the rare earth supply problem?
SAO: Tell me something fun about yourself, your research, or your group.
Wow, much thanks to Prof. Eric Schelter for his preparation and willingness to be interviewed. Readers, if you (or someone you know) on the cutting-edge of chemistry would like to be interviewed, simply leave a comment here or contact me at seearroh_at_gmail.com
Update (8/11, 8:45AM): Carmen & CEN YouTube Channel recently covered Eric's chemistry
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