Spectral lines

My latest clutch of science news is now available on SpectroscopyNOW.com including the first feedback from NASA’s Curiosity Rover on Mars, MRI’s magnetic memory effects, how the all-carbon buckyball traps water, a new way to detect even the vaguest sniff off the explosive TNT, a clearer understanding of antibiotic resistance in tuberculosis and, finally, nanoscopic infrared spectroscopy.

Analyse Mars – The ChemCam instrument aboard NASA’s Curiosity rover recorded its first spectra on Mars in mid-August, giving the systems a little target practice but also demonstrating that the device is working as it should by providing a sneak preview of rocky spectra.

On the 19th August 2012, a couple of weeks after NASA’s Mars rover Curiosity landed in the Red Planet’s Gale Crater, it fired its laser for the first time at a fist-size rock known as “Coronation.” The Chemistry and Camera instrument, or ChemCam, flashed the rock with thirty pulses of laser light over a 10-second time period with each pulse blasting the Martian rock with a megawatt of power for just five nanoseconds.

via ChemCam’s mega blast: Martian rock succumbs – Ezine – spectroscopyNOW.com.

Magnetic Memory Effect – A small-scale study published in the journal Occupational and Environmental Medicine, published by the British Medical Journal group, looked at the effects on 31 healthy volunteers of exposure to a 7 Tesla MRI magnetic field. The researchers allowed the volunteers to make standard head movements while they exposed them to one of three electromagnetic field strengths from what is described as a heavy-duty MRI scanner. For such a machine the magnetic field is present even when the instrument is not in use.

via Magnetic fields: Memory effects – Ezine – spectroscopyNOW.com.

Molecular cages – Cryogenic NMR spectroscopy and other techniques have been used to investigate how small molecules, including water, are trapped by the all-carbon cages known as fullerenes. The work might open up the possibility of using such caged systems as alternative contrast agents for magnetic resonance imaging or as innovative components of a molecular transistor.

via Move like caged hydrogen: Buckyball traps – Ezine – spectroscopyNOW.com.

Explosive reaction – Researchers in India have developed a shapely approach to nanoparticle enhancement that allows them to detect TNT at sub-zeptomole concentrations of TNT.

Thalappil Pradeep, Ammu Mathew and P. R. Sajanlal of the Indian Institute of Technology Madras have used a clever combination of micro- and nano-structures as sensors to detect tiny quantities of the explosive material TNT, trinitrotoluene. Their gold mesoflowers, are flower-shaped gold particles about 4 micrometres in diameter, which act as supports for clusters that contain precisely fifteen silver atoms and are embedded in the protein bovine serum albumin. Irradiation at an appropriate wavelength leads to red luminescence of the silver clusters and the gold intensifies this process. The distinctive shape of the mesoflowers means that they are readily identifiable under an optical microscope by visual inspection. The shape might also be exploited in image recognition of micrographs, something that is far more difficult if the particles being observed are spherical.

via Sensitive flower: Explosive glow – Ezine – spectroscopyNOW.com.

Drug resistance – In a previous issue, we discussed early work on Escherichia coli as a proof of principle for understanding how bacterial resistance to antibiotics can emerge. Now, Edward Yu’s team at Iowa State University have taken another step forward in our understanding of this pressing issue by using crystallography to reveal the structure of a protein regulator that controls the expression of the multidrug efflux pump in Mycobacterium tuberculosis.

via TB or not TB: Efflux X-rayed – Ezine – spectroscopyNOW.com.

Nanospectroscopy – An optical technique that combines Fourier transform infrared (FTIR) spectroscopy and scattering-type scanning near-field optical microscopy (s-SNOM) now allows nanoscopic quantities of materials to be identified chemically and mapped. The technique of nano-FTIR developed has been developed by scientists from the nanoscience research centre NanoGUNE in San Sebastian, Spain, the University of Munich, LMU, Germany and Neaspec GmbH in Martinsried, Germany.

via You say you want resolution: Nano-FTIR – Ezine – spectroscopyNOW.com.

Damaged electronic goods

Electronic devices are susceptible to damage from radiation, potentially cosmic radiation and even ultraviolet radiation. A study using spectroscopy reveals that the amount of optical damage, as opposed to structural damage, that can be caused may be more than ten times greater than studies suggested.

“These are somewhat new ideas, especially in my opinion the concept of ‘optical damage’ versus ‘structural damage’ where as people normally focus on the later, I believe the former is a very much unexplored area with important implications for actual, real, operating nanodevices,” research leader Andrew Steigerwald of Vanderbilt University told me.

“Considering that, I hope in the future that our results can be extended to other materials (e.g. silicon) and perhaps coupled with a sensitive microscopy technique so that we can compare spectroscopy results with mapping of electronic states.”

Damaged goods: Probing the depths – Ezine – spectroscopyNOW.com.

Research Blogging IconSteigerwald, A., Hmelo, A.B., Varga, K., Feldman, L.C. & Tolk, N. (2012). Determination of optical damage cross-sections and volumes surrounding ion bombardment tracks in GaAs using coherent acoustic phonon spectroscopy, Journal of Applied Physics, 112 (1) DOI: 10.1063/1.4732072

Alchemical chemistry news

The Alchemist gets down and dirty with the geckos this week, or not, as the case may be. Meanwhile learns how to make multi-layered graphene flakes with ultrasound and finds caffeine, cocaine and more in ultratrace quantities in the water supply. In ancient news, we hear that Libyans have been dairy farming for at least 7000 years. The newest bond on the block is the halogen bond. Finally, PhD recognition in the form of this year’s Reaxys PhD Prize.

The Alchemist. Apols for late update this week.

Frisky firefly sex tape

Once the lights go out, female fireflies apparently prefer a little more substance and a little less flash. Infrared imaging and other techniques have been used to monitor firefly behaviour and to show that the females of the species tend to choose mates that they perceive as able to deliver a large “nuptial gift” a high protein sperm package that helps females produce more eggs.

The team used programmed LED lights to simulate male firefly flashes. The team exposed one group of females to a flash pattern that earlier research had shown was highly attractive to females; second group saw only “unattractive” flash patterns. They also divided the males into two groups: those who had a large spermatophore to present, the virgins, and the experienced old-timers who had a smaller package. They then used IR lamps to shed light on the antics of their frisky fireflies and DNA paternity testing to figure out which males were most successful after dark.

You can read more about the research in my 1st July infrared news story on SpectroscopyNOW.com

Drugs in drinking water

Rather bizarre extrapolations about the presence of the serotonin reuptake inhibitor Prozac in water and the development of "autism" in fish hit the headlines recently and were quickly debunked by science bloggers around the world. Nevertheless, the presence of pharmaceuticals in the water supply is an ongoing issue and has been during the last two decades of this authors reporting on the subject and for many years before that. It is important to know what drugs are present, in what quantities and whether any particular parts of the globe are affected more significantly than others.

Spanish researchers have tested tap drinking water for various drugs, both legal and illicit, in Europe, Japan and South America. Their analysis revealed the presence of caffeine, nicotine, cotinine, cocaine and its metabolite benzoylecgonine, methadone and its metabolite EDDP but only in ultratrace amounts at the detection limits of their instruments.

Drugs on tap: Ultratrace detection.

Pharma matters

The latest issue of my Cutting Edge of Chemistry report for TR Pharma Matters is now available.

Organic synthesis scheme showcase in this report, we look at a chemoenzymatic approach that shows promise for a more efficient route to synthesize ultra low molecular weight heparins.

Scaffolds on the move – dihydronaphthyridinediones could represent a novel structural class of potent and selective phosphodiesterase PDE7 inhibitors for the treatment of cognitive disorders. Also showcased are antimalarial agents, oncolytic drugs, and drugs to combat HIV.

New molecular mechanisms of action hydroxyacid oxidase 2 (HAOX2, HAO2) inhibitors, integrin alphaMbeta2 (MAC-1) agonists and histone acetyltransferase (HAT) activators, among a range of other compounds, are showcased in this issue.

The starting line – a selection of new molecular entities ready to progress in the R&D arena including pharmacological activity, originator, and chemical structure.

New drugs for old – the search for new drugs is an increasingly costly business. With patents expiring and pipelines drying up it is possible that the pharmaceutical industry is truly at the end of the so-called era of blockbusters. In this article, we look at how the industry is finding ways to reformulate and repurpose old products to new diseases and extracting novel applications for known agents.

The report is available as a PDF here.

Hands off spectroscopy

A new dual laser approach to analysing chemicals shouldn’t require the sample to be prepped and placed in the spectrometer. The surface of a suspect package at an airport or a contaminated material in a medical or environmental setting could be “scanned” via a standoff approach using the new technique, according to research I discuss in the latest issue of SpectroscopyNOW.

Science, spectroscopy and stuff

My latest SpectroscopyNOW column goes live today. Four items: Cheminformatics and TB, laser spectroscopy and graphene, ‘shroom doom and enmeshed drugs.

Multivariate statistical data processing has been used to create a model from gas chromatography-mass spectrometry (GC-MS) data of metabolite profiles of the various types of Mycobacterium species tuberculosis (TB). The model could allow diagnosticians and biomedical researchers to quickly and easily distinguish between various infectious Mycobacterium species – TB news.

When graphene is stimulated optically it produces a photocurrent on a time scale of mere picoseconds. A German research team has now used the pump-probe method of time-resolved laser spectroscopy to take a snapshot of this process as it happens – Atomic Absorption and Atomic Spectroscopy Resource.

Nuclear magnetic resonance spectroscopy, mass spectrometry and other techniques have been used to demonstrate that the consumption of toxic mushrooms may have been responsible for a series of unexplained deaths in China during the last three decades – NMR and toxic toadstools.

X-ray computed tomography can be used to look closely at superhydrophobic polymer meshes. These experimental materials have been shown to trap drug molecules with a barrier of air between them and an external aqueous environment – Drug smugglers.

12 chemistry research highlights for 2011

This year’s headlines from my monthly Research Highlights column on ChemistryViews.org

Ouroboros Breathes Benzene

December – As benzene breathes, its aromaticity ebbs and flows according to new derivative current-density maps

Flexible Crystals

November – New discovery not only hints at existence of “flexible” crystals, but also shows how such materials could be probed in greater detail

Could Dopamine be the Most Evil Chemical in the World?

October – Two neighboring hydroxy groups on a benzene ring with an amino group just around the corner. Nothing too complicated really. Or is it?

Herbal Remediation or Complication?

September – Do herbal remedies like St. John’s wort live up to their claims or are they a source of additional complications?

The Good And The Bad News for Chocolate Fans

August – As with any vice – Bieber, brews, or bars of chocolate – those who partake to excess will have a trove of excuses

At Last, A Definitive Periodic Table?

July – ChemViews article and ensuing discussion has spawned a development in this field courtesy of UCLA chemistry professor E. Scerri

Periodic Debate

June – Mendeleev’s Periodic Table is, for many, the symbol of chemistry but is the current layout the best one?

Nano Safety

May – The safety of nanoparticles is under constant examination and recent research suggests their toxicity does not depend on size

Natural Product? Not!

April – An acid chloride reportedly isolated from a fungus may not be a natural product after all

The Forgotten Greenhouse Gas

March – Ionic liquids can be used to cut greenhouse gas emissions in an example of green chemistry

The Lingering Risk of Thirdhand Smoke

February – Thirdhand smoke re-emitted from surfaces could pose long-term health risk while firsthand smoke does damage in minutes

Crystallographic Confusion

January – Two bond or not two bond? That is a question of X-ray crystal structure interpretation, especially for cyclobutadiene.