Chemistry – Page 8 – David Bradley

Latest spectroscopy and crystallography

Electric microbes – X-ray diffraction has been used to reveal the structure of proteins attached to the surface of the microbe Shewanella oneidensis, a species found in deep-sea anaerobic habitats. These proteins can transfer electrons making this micro-organism potentially rather interesting as an electricity-generating system. The research could allow researchers to tether bacteria directly to electrodes creating efficient microbial fuel cells or bio-batteries powered by human or animal waste. Such an advance could also hasten the development of system based on microbial agents that can clean up oil spills or provide a new approach to remediating radioactive waste.

Uranium and Raman – Scientists at the Indira Gandhi Centre for Atomic Research in Tamil Nadu have carried out the first study of "pure" uranium using Raman spectroscopy. The fundamental research offers new insights into this radioactive metal and may even have implication for developments in nuclear energy.

Magnetic resonance without magnets – US researchers have demonstrated magnet-free nuclear magnetic resonance, opening up the possibility of low-cost, portable chemical analysis. Writing in the journal Nature Physics, the team says that it is just the beginning for the development of zero-field NMR although the team has already demonstrated that it is possible to get, clear, highly specific spectra.

Aerobics and the elderly – Increased physical activity involving aerobic exercise might slow age-related decline according to a new functional magnetic resonance imaging (fMRI) and transcranial magnetic stimulation (TMS) study funded by the US Department of Veteran's Affairs. The study shows how the brain's motor cortex changes as we get older particularly in those people who become more sedentary as they do so. However, maintaining a physically active lifestyle can preclude the changes that lead to unnecessary decline.

Slipped disc gel – Viable nucleus pulposus (NP) implant materials for repairing damaged intervertebral discs, comprising novel hydrogels, have been developed and studied using the techniques of Fourier-transform infrared and nuclear magnetic resonance spectroscopy. Anyone who has suffered damage to an intervertebral disc in their spine or has a degenerative of the discs will know only too well how debilitating can be the attendant inflammation and pain caused by such damage and pressure on the sciatic, and other, nerves. Alleviating the pain to an extent is sometimes possible through spinal manipulation, physiotherapy, anti-inflammatory agents or surgery. However, there is a pressing need to develop artificial implants that can remedy the loss of the gelatinous filling to intervertebral discs as an alternative to simply removing damaged or diseased discs and fusing the vertebrae.

Maya blue – UV-Vis spectroscopy and various other techniques have been used to analyse the yellow pigments found in Mayan wall paintings. The compounds present are the indigoids, including isatin and dehydroindigo. The spectra together with SEM/EDX, TEM and voltammetry of microparticles show that this ancient people had the recipe for making indigo itself and converting it to Maya Blue and Maya Yellow in a stepwise reaction sequence.

Latest science news with a spectral twist

Romantic notes – Cassis base 345B, undecavertol, 1,3-oxathiane oxane, isospirene… Perfume can be so romantic! But the chemical components underpinning the often-enticing and seductive smells of fragrances are, one might say equal parts art and science. One of the most intriguing elements of several fragrances, including popular perfumes like Le monde est beau by Daniela Andrier and DKNY Be Delicious by Maurice Roucel is the fruity top note – blackcurrant.
Socioeconomic pollutants – How much socioeconomic factors affect exposure to persistent organic pollutants, especially during vulnerable periods of life such as pregnancy and childhood, is not yet well understood. A new study has investigated the relationship between maternal social class, based on occupation type, and placental concentrations of organochlorine pesticides (OCPs) and the combined estrogenic activity of analytes as revealed by a biomarker for exposure.
Heavy metal drugs – Metals and metalloid impurities are an increasing focus for pharmaceutical regulators anticipating high standards of QC/QA for pharmaceuticals with regard to efficacy and patient safety. A review by a team at Bristol-Myers Squibb assesses the various techniques available to the industry. The report offers insights into how these various applications can be used and ultimately how they might address concerns about metal toxicity in raw materials, intermediates, active pharmaceutical ingredients and final drug products.
Ancient minerals – The discovery of the oldest mineral in the solar system, krotite, found in an unusual refractory inclusion of the meteorite NWA 1934 from northwest Africa, provides an unprecedented look back into deep time to the first planetary materials formed in our solar system.

Current issue of David Bradley’s SpectroscopyNOW column

Resurrecting the flatlining pharma industry

Resurrecting the flatlining pharma industry – In 2008, there were 800,000 medical papers published and 21 drugs approved by the FDA. Something of a disparity between amount of effort and productive output, you might say. So, why has drug discovery flatlined and how can we drag it out of the valley of death and revitalise it? Despite significant increases in funding, the advent of genomics, computerized molecular modelling, high-throughput drug screening and synthesis drug submissions (and so approvals) are at an all time low. For a discovery to reach the threshold where a pharmaceutical company will move it forward what’s needed is called “translational” research — research that validates targets and reduces the risk, according to David Bornstein's NYT Opinion piece aimed at fixing the industry.

Selected from the latest science stories to hit DB’s virtual desktop @sciencebase.

A lot of spectroscopy and a little maths

Uranium hard drive – A new uranium-containing compound maintains its magnetic behaviour at low temperatures. The discovery could take us a step closer to magnetic memory devices with capacities thousands of times denser than current high-end hard drives.
Clouds from both sides – Atmospheric and climate models may have overlooked the fact that exactly how clouds appear to reduce the amount of sunlight available for warming the surface of the earth depends on the wavelength being measured across the spectrum from infrared to ultraviolet. The finding could now help researchers improve climate models by factoring in the effects of cloud cover more precisely.
Soap story – It is perhaps no real surprise to any chemist who has unblocked a drain clogged with white lardy deposits, but new FTIR spectroscopic evidence confirms that degraded fat, oil and grease (FOG) reacts with calcium compounds in the murky water of drains to form hardened deposits that are, to all intents and purposes, composed of soap, leading to blockages and overflows.
Volcanic ash cloud nanoscience – When Eyjafjallajökull spewed volcanic ash into the atmosphere in 2010, airlines were thrown into chaos as the aviation authorities grounded all planes. But was the move justified, did it stop potentially catastrophic damage to aircraft? A new study that takes a close look at the behaviour of ash particles would suggest so.
SERS calcs – New quantum calculations show how electrical charge can slosh from a target molecule to the metal being used to enhance Raman signals in Surface-enhanced Raman spectroscopy (SERS). The finding could finally explain the mechanism by which this technique boosts Raman spectra in terms of the chemical contribution to the effect.
Zen and the art of decision making – Buddhists are different from other people, at least when they meditate on an important decision. Functional magnetic resonance imaging (fMRI) shows that specific regions of the meditating brain become active when confronted with an ethical decision but that these are different from the brain regions apparently active in people of a less Zen disposition attempting to make the same decision.
The mathematics of elections – UK is to vote on a possible new voting system soon. There are good arguments as to why the alternative vote (AV) is mathematically a better system than first past the post (FPTP), but ultimately the decision people make in the ballot box next week is all about politics, not mathematics. Do you want a system that picks a winner with strong support from a minority of voters (FPTP) or one where the leading candidate is vaguely liked by a majority of people (AV)? No amount of equations can help you reach a decision.

The latest seven science stories to hit DB’s virtual desktop @sciencebase.

Recent science news roundup

Optical catapulting for explosive fingerprint detection – Optical catapulting-laser-induced breakdown spectroscopy has been used to successfully detect residues of common explosives in human fingerprints, according to researchers from Egypt and Spain.
Unsettling enzymes – Millisecond oscillations can massively impact how an enzyme functions, a new NMR spectroscopic study in the US reveals. The study suggests that finding ways to control such movements, without altering the overall structure of an enzyme might be useful in disabling an enzyme in disease. Proof of principle was demonstrated with an enzyme from Escherichia coli.
Melanoma lead – Cheminformatics has helped researchers home in on a single compound that could lead to a new approach to treating malignant melanoma. Laboratory tests show that the compound reduces the number of cell types formed by neural crest progenitor cells.
Life on Earth – New hints as to how life emerged from the "primordial soup" have been recovered by US chemists investigating the intramolecular communication within a large RNA-protein enzyme. X-ray data on the system, which is responsible for expressing the genetic code for the amino acid glutamine, point to a deeper origin for this aspect of biochemistry.
Court date for e-waste crime – A court date has been set for the UK's largest ever investigation into the illegal exportation of e-waste. A total of 14 individuals and companies accused of illegally exporting waste electronic and electrical equipment (WEEE) from the UK to developing countries, are due at court on 17 October 2011.

A roundup of recent science news selected by David Bradley Science Writer @sciencebase.

Five more science stories

Tevetron finds new particle – Scientists at the particle accelerator have reported a study of the invariant mass distribution of jet pairs produced in association with a W boson using data collected with the CDF detector which correspond to an integrated luminosity of 4.3 fb^-1. The observed distribution has an excess in the 120-160 GeV/c^2 mass range which is not described by current theoretical predictions within the statistical and systematic uncertainties. They found a new particle, in other words. Possibly.
Open-source chemistry – Nothing beats ChemDraw…apparently…but if you're on Linux, you're stuck. Simply doing a search in the Ubuntu Software Installer for chemical drawing software turns up quite a few results, often with confusingly similar names (Xdrawchem, GChemPaint, JChemPaint, Chemtool, ChemSketch, Marvinsketch, BKChem, to name a few). Are there alternatives out there for Linux users?
Molecule to dye for – Worms live longer if protein homeostasis is maintained by adding a dye molecule to their diet, according to new study. The dye molecule Thioflavin T precludes the kind of protein misfolding that, in humans, leads to aging effects and Alzheimer's disease.<br />
The research by an international team from Sweden and the USA investigated how aging might be slowed and lifespan extended in the biomedical researcher's favourite worm Caenorhabditis elegans by exposing it to the dye molecule. They used fluorescence and absorption studies to assess exposure and results.
Antioxidant cosmeceuticals – While cosmetic manufacturers tend to avoid producing actual medical effects in skin for fear of their products being subsumed into the pharmaceutical regulatory process, there is a need to understand how so-called "cosmeceuticals" might affect the aging process in skin. Resonance Raman spectroscopy has recently emerged as a useful technique for the non-invasive investigation of the interaction of carotenoid antioxidants with free radicals in the skin.
Designer drug identified – A new "designer" drug related to "ecstasy" (3,4-Methylenedioxymethamphetamine) and methamphetamine has recently been found on sale as bath salts in the USA, although it was first identified on the black market in Germany in 2009. A new study discusses how infrared and NMR spectroscopy were used in conjunction with mass spectrometry to identify the compound as 3,4-methylenedioxypyrrolidinobutyrophenone.

The latest selection of five science stories, picked up by David Bradley Science Writer @sciencebase.

Six science selections

Map mashup reveals world’s top science cities – Combining citation data with Google Maps reveals the cities where science prospers, and those where it doesn't.
9 arguments for (against) herbal remedies – About 40% of pharmaceuticals have a herbal origin but that doesn't mean natural is all good. Here's 9 arguments often posited in support of herbal over pharma. The first one: They’re natural. (So what? Strychnine is natural.), Read on for the other 8.
The long-distance shimmer – The secret to controlling an NMR spectrometer is not to let your mind wander. The mind can play tricks on even an experienced spectroscopist…Chris Blake explains the loneliness of the long-distance shimmer.
Simple salt removal to get fresh water – Simple desalination. Scientists in the US have developed a membrane-free, solvent extraction method to remove salt from seawater that works at low temperatures.
Open Laboratory 2011 – submissions so far – It's time to submit your blog posts to the 2011 Open Laboratory.
Is 10,000 hours practice enough? – Some researchers believe that talent is learned and earned through extended and intense practice of a skill rather than being an innate expression of genes that would otherwise lie dormant. This notion is nowhere more succinctly encapsulated than in the 10,000 hours rule. posited by psychologist Anders Ericsson of Florida State University, and made famous by author Malcolm Gladwell in his book “Outliers”. My latest Pivot Points column for the Euroscientist Blog is now online.

My latest selection of six science stories, picked up by David Bradley Science Writer @sciencebase.

Six science selections

How Radiation Threatens Health – Why and how does exposure to radiation make you ill? What levels of exposure are dangerous and what levels are lethal?
Fukushima is a triumph for nuke power – Quake + tsunami = 1 minor radiation dose so far, says El Reg. Tragic as recent events in Japan have been. We should be building more nuclear reactors not fewer. Global warming caused by burning more and more fossil fuel in coming decades will have a far more detrimental effect on many more people than minor nuclear leaks.
Dog walking ‘is good exercise’ – Owning a dog but not walking it is bad for the dog’s owner as well as the dog. NHS Choices unravels the spin on recent headlines proclaiming dog ownership good for health.
Top banana – Atomic absorption spectroscopy is being used to assess how well banana peel can filter heavy metals, such as copper, from waste water. Preliminary results look promising and could lead to an ecologically sound method of industrial cleanup that uses a renewable but otherwise wasted source material.
Toxic robot – A new high-speed robotic screening system for chemical toxicity testing was recently unveiled by collaborating US federal agencies, including the National Institutes of Health. The system will screen some 10,000 different chemicals for putative toxicity in what represents the first phase of the "Tox21" program aimed at protecting human health and improving chemical testing.
Crystal unknowns – Frank Leusen and his co-workers at the University of Bradford, England, have turned to a quantum mechanical approach to help them predict the three known possible polymorphic structures of a sulfonimide. The work could assist crystallographers in structure determination of unknowns

My latest selection of six science stories, picked up by David Bradley Science Writer @sciencebase.

A periodic table of periodic table songs

I’ve created an unusual Periodic Table. In this rendering of the classic PT, each element represents, not a chemical element, but a version of the classic Tom Lehrer song, The Elements; it’s every chemist’s favourite song, so why not?

There are also a few ringers, see if you can spot them. But, more to the point, there are major gaps just waiting to be filled. So…what’s you’re favourite cover of The Elements? Let me know via Twitter or Facebook or in the comments. I’d be particularly interested to see personal recordings and renditions done for your own site, lab or special event. Do share the link, let’s see if between us we can complete The Periodic Table of Periodic Table Songs.

You can find the original lyrics here; the tune is that of G&S’s “Major General” from The Pirates of Penzance. There’s also a redacted version here that reflects the growing concerns about materials security.

Mark Leach, the ubercompiler of PTs alerted me to some related elemental tunes:

Anyway, some songs for your musical PT:

http://www.meta-synthesis.com/webbook/35_pt/pt_database.php?PT_id=224

http://www.meta-synthesis.com/webbook/35_pt/pt_database.php?PT_id=226

http://www.meta-synthesis.com/webbook/35_pt/pt_database.php?PT_id=223

Not quite a song, but…

http://www.meta-synthesis.com/webbook/35_pt/pt_database.php?PT_id=381

Five science selects

How to Find Trustworthy Science and Health Information – Today, we’re overwhelmed with sources of information, with hundreds of television stations and millions of Web sites, and it can be hard to figure out what to trust. Google recently tweaked its search algorithm to bring higher quality sites to the top of its searches, but even then, how do you know what’s good? Here are some questions to ask when evaluating the trustworthiness of science and health information (though many apply to other areas of life)
Placebo vs Pain – Researchers are elucidating the many mechanisms that go into measured placebo effects, and the differing magnitude of placebo effects for different outcomes.
Can chemistry save the world? – The greening of chemistry…
$200 ‘Mini’ NMR detects cancer faster and cheaper than full biopsies — Engadget – Detecting cancer could be on the verge of getting a whole lot cheaper — and better. Researchers at Harvard and MIT have come up with a device that, using a needle to get a tissue sample, has achieve 96 percent accuracy despite having a cost to produce of just $200.
When will we have something like paper.li for scientific publications? – Science needs its own Paper.li, argues Bjoern Brembs.

My latest selection of five science stories on, picked up by David Bradley Science Writer @sciencebase.