Journal of Austrian Chemistry

Journal for the Chemical Industry in Austria

Archives for February 2019

First Anton Paar Research Award 2018

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“At our first Anton Paar Research Award, we were hoping for 25 submissions. In the end, it turned out to be 69,” says Gerhard Murer, chief scientist at Anton Paar. The entries came from 19 countries, most (ten) from Austria, followed by nine each from Brazil, and Germany.

1st row: Robin Ras and Quan Zhou from Aalto University (Finland). 2nd row: Bernhard Lendl and Johannes P. Waclaweck from Vienna University of Technology. 3rd row: Gerhard Murer (Chief Scientist Anton Paar), Friedrich Santner (CEO Anton Paar), Prof. Wolfgang Kern (Montanuniversität Leoben), Ronald Henzinger (Head of R&D Anton Paar).
Credit: Anton Paar

The five-member jury – Prof. Ferdinand Hofer from Graz University of Technology, Prof. Oliver Kappe from Karl Franzens University Graz, Prof. Wolfgang Kern from Leoben University of Mining and Metallurgy, Anton Paar research director Ronald Henzinger, and chief scientist Gerhard Murer – was particularly impressed by five projects. Finally, it was clear that the prize money of 20,000 Euro will be shared this year and will go to research groups from Finland and Austria. Both projects fulfilled the decision criteria, namely the novelty and ingenuity of the method and an attractive utilization potential in measurement technology.

A drop as a measuring probe

Robin Ras and Quan Zhou from Aalto University in Finland have submitted a project for the locally high-resolution measurement of the wettability of surfaces. For this purpose, a super small drop of water fixed to a sensor is approached to the surface of interest and removed again after contact. By measuring the forces occurring in the Nano-Newton range, information is obtained on how strongly the surface attracts or repels the liquid at the contact point. The researchers have already submitted their method for patenting. According to the jury, it is scientifically exciting and also promises economic success. Plastics specialist Prof. Kern is particularly impressed with this “cool method for investigating wettability in the micro range.”

Measurement of trace gases

The procedure submitted by Johannes Waclawek and Bernhard Lendl of the Vienna University of Technology, which receives the second half of the research prize, has also already been submitted for patenting. Gerhard Murer: “This approach could be used to investigate the exposure to harmful trace gases at the workplace.” The method is based on the high-resolution measurement of the change in the refractive index when the trace gas is excited with a laser beam. It fascinates with sophisticated noise suppression, according to Prof. Hofer.

In 2018, Anton Paar was calling for applications for the 1st “Anton Paar Research Award for Instrumental Analytics and Characterization”. To be eligible for consideration, proposals about projects not older than two years needed to focus on new methods and/or applications in instrumental chemical analytics or the physical characterization of materials. Additionally, the proposals should show a high probability of enabling new scientific or industrial products and/or applications. The application was open to anyone interested in chemical analysis or physical characterization. The focus should have been on new methods and applications. The next Anton Paar Research Award will be announced soon.

Chemical data mining boosts search for new organic semiconductors

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Organic semiconductors are lightweight, flexible and easy to manufacture. But they often fail to meet expectations regarding efficiency and stability. Researchers at the Technical University of Munich (TUM) are now deploying data mining approaches to identify promising organic compounds for the electronics of the future.

Producing traditional solar cells made of silicon is very energy intensive. On top of that, they are rigid and brittle. Organic semiconductor materials, on the other hand, are flexible and lightweight. They would be a promising alternative, if only their efficiency and stability were on par with traditional cells.

Both the carbon-based molecular frameworks and the functional groups decisively influence the conductivity of organic semiconductors. | Credit: C. Kunkel / TUM

Together with his team, Karsten Reuter, Professor of Theoretical Chemistry at the Technical University of Munich, is looking for novel substances for photovoltaics applications, as well as for displays and light-emitting diodes – OLEDs. The researchers have set their sights on organic compounds that build on frameworks of carbon atoms.

CONTENDERS FOR THE ELECTRONICS OF TOMORROW

Depending on their structure and composition, these molecules, and the materials formed from them, display a wide variety of physical properties, providing a host of promising candidates for the electronics of the future.

“To date, a major problem has been tracking them down: It takes weeks to months to synthesize, test and optimize new materials in the laboratory,” says Reuter. “Using computational screening, we can accelerate this process immensely.”

COMPUTERS INSTEAD OF TEST TUBES

The researcher needs neither test tubes nor Bunsen burners to search for promising organic semiconductors. Using a powerful computer, he and his team analyze existing databases. This virtual search for relationships and patterns is known as data mining.

“Knowing what you are looking for is crucial in data mining,” says PD Dr. Harald Oberhofer, who heads the project. “In our case, it is electrical conductivity. High conductivity ensures, for example, that a lot of current flows in photovoltaic cells when sunlight excites the molecules.”

ALGORITHMS IDENTIFY KEY PARAMETERS

Using his algorithms, he can search for very specific physical parameters: An important one is, for example, the “coupling parameter.” The larger it is, the faster electrons move from one molecule to the next.

A further parameter is the “reorganization energy”: It defines how costly it is for a molecule to adapt its structure to the new charge following a charge transfer – the less energy required, the better the conductivity.

The research team analyzed the structural data of 64,000 organic compounds using the algorithms and grouped them into clusters. The result: Both the carbon-based molecular frameworks and the “functional groups”, i.e. the compounds attached laterally to the central framework, decisively influence the conductivity.

IDENTIFYING MOLECULES USING ARTIFICIAL INTELLIGENCE

The clusters highlight structural frameworks and functional groups that facilitate favorable charge transport, making them particularly suitable for the development of electronic components.

“We can now use this to not only predict the properties of a molecule, but using artificial intelligence we can also design new compounds in which both the structural framework and the functional groups promise very good conductivity,” explains Reuter.

Publication

Christian Kunkel, Christoph Schober, Johannes T. Margraf, Karsten Reuter, Harald Oberhofer. Finding the Right Bricks for Molecular Lego: A Data Mining Approach to Organic Semiconductor Design.
in Chem. Mater. 2019, 31, 3, 969-978. DOI: 10.1021/acs.chemmater.8b04436

Scientific Contact

Prof. Dr. Karsten Reuter
Chair of Theoretical Chemistry
Technical University of Munich

Header-Image: First author Christian Kunkel, PD Dr. Harald Oberhofer and Prof. Karsten Reuter (fltr). Credit: A. Battenberg / TUM

Cut flowers: HHU biologists increase longevity

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Valentine’s Day is just around the corner, and 14 February will see huge quantities of cut flowers being bought as a gift. However, not only on this occasion, but also anytime of the year flowers will bring joy into our homes and offices. According to a statistic from the United Nations on imports, the world trade value of cut flowers is roughly USD 4 billion. The main purchasers are Europe (66.7%), the USA (19.3%) and Japan (10.7%). In Germany alone, the average per capita spending on cut flowers and decorative plants amounts to roughly EUR 100 per year.

So it’s important for traders and consumers that these flowers – which are often transported over long distances from where they are grown in Africa and South America – stay fresh for a long time and don’t start to wilt after a few days. The research team of Prof. Dr. Georg Groth from the Institute of Biochemical Plant Physiology at HHU has developed an efficient method for slowing down the wilting process of cut flowers. In the current edition of the journal Scientific Reports, the scientists describe how a synthetic peptide can be used to alter the response of cut flowers to the gaseous plant hormone ethylene substantially.

In recent years, several international research teams have identified the major elements of the ethylene signalling pathway and have determined their molecular functions and downstream interactions. These studies showed that each plant cell perceives the hormone via special receptors. From the receptors the signal is then transmitted via different protein molecules into the cell nucleus, where it triggers the wilting process, known as ‘senescence’. Interaction between the hormone receptors and the downstream ethylene pathway protein EIN2 is essential for the ethylene signalling process. By closing off this interaction signal transfer to the nucleus is disrupted and the wilting process can be delayed.

The research team of Prof. Groth made use of this finding and copied a short sequence from the EIN2 protein consisting of just eight consecutive amino acids. They introduced this sequence to the plant as a synthetic peptide called NOP-1. This peptide blocks the interaction of receptors and EIN2, which ultimately interrupts the transfer of the ethylene signal.
Experiments on different cut flower varieties such as roses and carnations demonstrated the simplicity, effectiveness and sustainability of this approach. NOP-1 is absorbed by the cut flower from the vase water. The biologists in Düsseldorf provide clear evidence on the NOP-1effect to extend the vase life of cut flowers.

Influencing senescence in cut flowers in a targeted manner is not the only application area for NOP-1. Prof. Groth and his group had previously demonstrated that NOP-1 can also inhibit fruit ripening in tomatoes and apples.

The next step now is to identify partners in industry to exploit a potential commercial use of NOP-1. This includes further studies to confirm non-toxicity as well as process development for cost-effective and economic production of NOP-1.

Publication

Claudia Hoppen, Lena Müller, Anna Christina Albrecht and Georg Groth.
The NOP-1 peptide derived from the central regulator of ethylene signaling EIN2 delays floral senescence in cut flowers.
Scientific Reports 9, 1287 (2019). DOI: 10.1038/s41598-018-37571-x

Scientific Contact

Prof. Dr. Georg Groth
Institut für Biochemische Pflanzenphysiologie
Heinrich-Heine-Universität Düsseldorf

UAS Technikum Wien supports start-up myBioma

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The start-up program of FH Technikum Wien is growing: With myBioma, a promising new company from the HealthTech sector is moving to the FHTW premises. myBioma has developed a microbial analysis kit that gives you an insight into your own, individual intestinal flora universe. The launch is scheduled for March 2019.

Barbara Sladek and Nikolaus Gasche in their office at the Technikum. | Credit: UAS Technikum Wien

“We are very excited about the opportunity to work closely with the Technikum. Together we want to revolutionize medical diagnostics,” says Barbara Sladek, who founded myBioma together with Nikolaus Gasche. “The FH Technikum offers us a great job and, above all, access to specialist expertise in the fields of e-Health, IT Security and Life Science Technologies. The motivating and positive atmosphere inspires us every day anew. “

“Working with startups is a means of our own innovation management. Such cooperation is on an equal footing. As a university, we benefit from the input of the startups as well as the startups from our expertise, “says Thomas Faast, Innovation Manager at UAS Technikum Wien. “The example of myBioma shows that these inputs, if they fit our areas of expertise, can also come from outside.”

Novel snapshot of the intestinal flora

The equal or imbalance of the intestinal flora is responsible for the development of gastrointestinal complaints, immunodeficiencies, lipid metabolism disorders and chronic inflammation. The analysis will reveal more about gut health, symptoms, vitamin synthesis, and metabolism and will provide suggestions for improvement. The myBioma app (iOS / Android) will then provide the results and become part of a growing community full of intestinal flora pioneers. Founder Barbara Sladek has a Ph.D. in biochemistry from Oxford University and several years of work experience at Siemens Healthineers. Co-founder Nikolaus Gasche has studied medicine and as a serial entrepreneur myBioma is already his fourth startup. myBioma allows Barbara Sladek to combine her passions of science and economics and to connect Nikolaus Gasche with medicine and technology.

First startup on the road to success

myBioma is the second startup in the UAS university incubator. The first, the Internet-of-Things startup Toolsense has already been operating at the main location of the University of Applied Sciences since autumn 2017. Technikum graduates have developed a low-cost, low-energy IOT solution for construction and cleaning machines. Meanwhile ToolSense not only has an excellent financing: Already more than 20 machine manufacturers from Europe and the USA work together with the startup on the digitization of their products.

Systems for the cleaning of Sulphur condensers in gas production

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Since many years mycon uses the self-developed TubeMaster process for cleaning tubes and tube bundle heat exchangers. One of the focus is cleaning of Sulphur condensers. In gas production, the Sulphur content could be up to 30 % or more. This Sulphur content leads to deposits in the tubes of the heat exchangers and considerable energy losses. mycon supplies TubeMaster systems to the Gulf States for years and, if required, can take care of the entire cleaning process on site. Up to now, cleaning has been carried out completely manually. Particularly when cleaning tube bundle heat exchangers with tube a diameter over 40 mm, considerable force is required for cleaning. The customer from the Gulf region particularly appreciates the good service provided by mycon GmbH for process optimization, especially for the customer’s processes.

New possibilities for the cleaning of tubes and tube bundle heat exchangers 

mycon expands the application possibilities for the TubeMaster process so that inner tube surfaces can be additionally polished exactly as required. This makes longer cleaning intervals, shorter cleaning times and possibility of the production increment.In addition, mycon now also offers the TubeMaster process as an automated system, which is tailored exactly to the respective requirements of the customer. mycon installs the entire system and, if required, also supplies a blasting abrasive tailored to the requirements. At the customer’s request, the cleaning can be accompanied by employees of mycon GmbH. Kipp Umwelttechnik GmbH, sister company of mycon GmbH, also offers the cleaning of tubes and tube bundle heat exchangers using TubeMaster as a service.

Applications of the TubeMaster process for cleaning inner tube surfaces

The TubeMaster process can be used for cleaning and polishing tubes with an inner tube diameter of 3 mm or more. The most common application is the cleaning of tube bundle heat exchangers. TubeMaster cleans tubes from almost all materials with individual solutions: steel, stainless steel, aluminum, copper, brass, bronze, titanium, graphite, glass fibre and many more.

A customer’s paint shop uses heating and cooling coils as well as plate and tube bundle heat exchangers. These must be cleaned at regular intervals. mycon GmbH recently received an order for the cleaning of a tube bundle heat exchanger made of stainless steel. Some of the tubes of the shell-and-tube heat exchanger were completely blocked.Previous cleaning of the exchanger had been carried out by burning out. The resulting residues were deposited in a thin, hard layer on the inner tube surfaces. This could only be determined after the first cleaning cycle. But this layer could also be completely removed in a second cleaning cycle.

Removal of hard residues from sensitive graphite tube bundle heat exchangers

Even the hardest residues can be removed from sensitive surfaces, as shown by the example of cleaning a graphite heat exchanger. The inner tube surfaces of the shell-and-tube heat exchanger were exposed to extremely hard, multilayer residues over the entire length of 3000mm. It was not possible to remove the residues using chemicals. Due to the sensitive pipe material, cleaning with high-pressure water was also not possible. This would have led to the destruction of the pipes. Kipp Umwelttechnik, the sister company of mycon, therefore used the TubeMaster process developed by mycon GmbH for cleaning. With the help of a special application of the process, the entire length of the heat exchanger could be completely cleaned.

About Kipp Umwelttechnik

In the field of industrial cleaning, Kipp Umwelttechnik GmbH is the specialist for thorough and gentle cleaning in industry and for building cleaning. Kipp Umwelttechnik GmbH was founded in 1991 as a sister company to the construction company Jens W. Kipp Tiefbau GmbH, which has existed since 1971. Both companies are businesses managed by entrepreneurs. mycon GmbH has added to the group made up of Kipp Umwelttechnik GmbH and Jens W. Kipp Tiefbau GmbH since 2002.

About mycon

As a sister company to the service business Kipp Umwelttechnik GmbH, mycon GmbH is involved with the development, production and sale of new products and automation technologies. mycon GmbH currently supplies to customers in approx. 40 countries. 
Many years of experience from the field of industry service led to several systems developments and patents, some of which with international recognition. mycon GmbH takes care of customer groups from a variety of industry and service fields.