TPU scientists find method to more effectively predict properties of isotopologues of chlorine dioxide

Scientists of Tomsk Polytechnic University has conducted research on the 35ClO2 isotope and developed a mathematical model and software, which allow predicting characteristics by 10 folds more accurate than already known results. The research work was conducted by a research team of Russian, German and Swiss scientists. The research findings are published in the Physical Chemistry Chemical Physics (IF: 3,4; Q1) academic journal and listed as one of the best articles.

The ClO2 molecule is extremely important for medicine and biophysics, as well as for the Earth atmosphere. It is used in medicine for disinfection and sterilization. On a global scale, ClO2 plays one of the crucial roles in the formation and migration of ozone holes.

“The theoretical background for nonlinear molecules in so-called non-singlet electronic states, including ClO2, has been poorly developed until very recently. To study such molecules, scientists use a mathematical apparatus for linear molecules. As the molecule and its structure are different, there are large observational errors,” Oleg Ulenekov, Professor of the TPU Research School of High-Energy Physics, the co-author of the article, says.

“We created a mathematical model that takes into account subtle effects, the interaction of rotations and spin-rotational interactions in nonlinear molecules. The mathematical model gives the results with high accuracy that allows obtaining unique data and, the most important is that, predicting the properties of molecules with high accuracy,” Oleg continues.

The TPU scientists compiled the mathematical model of the 35ClO2 molecule for double electronic states and included it in computer codes. This software application can read and predict experimental data, that is properties of a molecule in the given range and its state transitions. Spectral analysis of the molecule based on the compiled model possesses the result by 10 folds accurate than already known ones.

Based on the created model, the scientists conducted an analysis of rotational-vibrational spectra in a degenerate electronic state. The experimental basis of the research work was conducted in the Laboratory for Molecular Spectroscopy at Technical University of Braunschweig (Germany) and ETH Zurich (Switzerland).

According to the scientists, the compiled model possesses a more unique character and it can be developed and adapted to the other ranges.

“Having published the results, the editorial staff of the journal reported that the article was selected and put in the hot topic section, the so-called pool of the best articles. Such recognition of the work of the international research team is very important and valuable. We are planning to continue the research work and apply the model for analysis of the 37ClO2 isotope,” Elena Bekhtereva and Olga Gromova, Professors of the TPU Research School of High-Energy Physics, the co-authors of the article, add.

Thammasat University invents UVC sterilizer pole to kill coronavirus

Thammasat  University has invented a new innovation “UVC Sterilizer Pole” that can kill the COVID-19 virus within 20 minutes. It is suitable for large area usage such as open markets and shopping malls.

Thammasat School of Engineering (TSE) by Associate Professor Dr Thira Jiasiripongkul, Dean of TSE and Assoc.Prof.Dr.Sirima Mongkolsomlit, Assistant Dean for Student Affairs  at Faculty of Public Health, Thammasat University (TU) says, “UVC Sterilizer Pole is a 1.2-meter height pillar with lightbulbs on 4 sides that can destroy the outer layer of COVID-19 virus. The lightbulbs are installed at an angle of 20 degree so that it can radiate onto the floor or road surface.

“TSE UVC Sterilizer” is developed and created by Assistant Professor Dr Pradya Prempaneerach from the department of Mechanical Engineering, Thammasat School of Engineering (TSE). He has also developed “Tham – UV Clean”, a UVC chamber for face mask sterilizing to support healthcare worker’s work during the first wave of COVID-19 pandemic.

Assistant Professor Dr Pradya Prempaneerach reveals, “This UVC sterilizer can completely inactivate COVID-19 virus in an open area. UVC is most effective at killing germs but it can also be dangerous to humans as it can irritate skins and affect your eyesight when you look at it even briefly.”

“We design it with the countdown timer. When the machine is turned on, it will start working after 5-10 minutes later so that the user can step back in time. After that, the machine will work autonomically for 20 minutes to sterilize the surface and the radiation length is about 2 meters away from the installation area.”, said Dr Pradya.

“The benefit of using UVC light to sterilize is that virus will be inactivated whenever the virus is exposed to the light. Unlike wiping with alcohol, it requires less human labor. However, the inactivation of the virus on surfaces may not be effective because of the blocking of light in some areas such as behind the surface area. The production cost of this UVC sterilizer is around 3,000-4,000 baht.”, said Dr Thira.

Associate Professor Dr Gasinee Witoonchart, TU’s Rector, states, “As a university for people that has centers around the country’s main strategic areas, TU always focuses on the improvement of quality of life along with academic services. Especially in the new wave of COVID-19 pandemic, Pathum Thani province was affected so badly that the market and the area were shut down and heavily controlled. Therefore, it is Thammasat’s mission to help relieve this problem.”

TU professors have collaboratively invented and produced 4 UVC sterilizer pole. Recently, the university gave them to Emergency Operation Center COVID-19, Pornpat market, to sterilize risk areas in the market.

“Professors and TSE staff offered their prompt support and only spent 2-3 days to produce the machine after coordinating with the Office of Disease Prevention and Control, Region 4. As a Rector, I would like to reassure that TU will continue to diligently support all sectors to fight against COVID-19. We believe that Thailand will overcome this disease outbreak for sure.”, said Associate Professor Gasinee Witoonchart.

A new algae-based switch is lighting up biological research

A group of scientists from the Nagoya Institute of Technology, Japan, have discovered a novel ion channel protein that can be controlled by light, in a species of terrestrial alga. These channels respond to the shorter indigo blue wavelength of light, the first discovery of its kind. Subsequent light-based manipulations of the channel find potential applications in the modulations of specific functions of nerves, muscles, and more, for biological research.

Scientists from the Nagoya Institute of Technology, Japan, and Jawaharlal Nehru University, India, have identified a channelrhodopsin that responds to an even shorter indigo blue wavelength of light.

In their study published in Nature’s Communications Biology, the group of researchers,
led by Professor Hideki Kandori and Associate Professor Satoshi P. Tsunoda, identified a novel channelrhodopsin, which they named KnChR, from a species of terrestrial alga called Klebsormidium nitens.

“We chose this alga because it is known to be responsive to light, but its photoreceptor domain has not been established,” reports Prof. Kandori. Unlike other discovered channelrhodopsins, KnChR was found to respond to indigo blue light.

It is known that KnChR is made up of a seven-cell membrane-spanning region, which forms the pore that allows the entry and exit of different ions. This region is followed by a protein moiety including a peptidoglycan binding domain.

In order to investigate the properties of KnChR, the researchers performed extensive genetic and electrophysiological experiments.

What was perhaps the most exciting result was that they could identify the role of the “cytoplasmic domain.” All known channelrhodopsins have a large “cytoplasmic domain,” or the region that is located in the internal area of the cell. As Prof. Kandori explains, “All currently known channelrhodopsins comprise a large cytoplasmic domain, whose function is elusive. We found that the cytoplasmic domain of KnChR modulates the ion channel properties.”

Accordingly, the results of the experiments showed that changing the lengths of the cytoplasmic domain caused changes in ion channel closure. Particularly, the shortening of the domain resulted in increased channel ‘open time’ by more than ten-fold.

In addition, the researchers also identified two arginine amino acid residues, namely R287 and R291, in the same region, which played an important role in the properties of generated light currents. They found that KnChR exhibited maximal sensitivity at 430 nm and 460 nm, making it the ‘bluest’ channelrhodopsin.

Overall, the researchers have faith in the KnChR being helpful in biological systems requiring specific excitation parameters. When asked about the implications of these findings, Prof. Tsunoda, who is the corresponding author of the study suggests, “KnChR would expand the optogenetics tool kit, especially for dual light applications when short-wavelength excitation is required.”

What this means is that the light-operated property of KnChR can be applied in targeted manipulation of an organism’s biological functions, in a research setting. A few examples would include manipulation of neuronal and myocyte activities.

It is hoped that the scope of this discovery would expand beyond the laboratory into real-world applications. These real-world applications could include a cure for Alzheimer’s disease and heart diseases, light therapy for recovery from depression, and visual restoration.

‘Space Walker’, an award winning innovation from Thammasat University

Space Walker is an innovation that has won an international gold medal prize and is based on a thesis from the Master of Engineering department of Thammasat University on the design of a gait-assisted machine with partial weight support.

The innovation is funded by the Ministry of Higher Education, Science, Research and Innovation or MHESI from Technology and Innovation-Based Enterprise Development Fund TED Fund. The fund strives to drive and support the young generation to do business by using technology and innovation and transform them into economic value.

Mr Warath Sitlaothaworn, Co-developer of Space Walker, reveals that the creation of physical therapy equipment for patients with ASL, postoperative patients, or elderly patients came from thesis research work. We get the idea from “ZeroG” equipment that we saw overseas. It is dynamic overhead support that assists patients to walk on the track. However, the product has a limitation as it can only be used in hospitals or specific places only.

Moreover, Thailand has not yet developed a gait-assisted machine with partial weight support. The only gait-assisted products are crutch and walker which may cause the patients to fall down. Therefore, the development of Space Walker with partial weight support to assist the patients in physical training after the operation is important. It is a new machine that never existed before in Thailand.

Warath also says, “Postoperative patients will have problem with muscle and need to do muscle training using a gait-assisted machine with partial weight support. The machine will prevent the patients from falling down and assist them to practice walking.”

“After the prototype of this machine is created, we have joined national and international innovation competition in order to make it well-known to make it easier to do business.

“In the meantime, the prize money that we received is used as our capital to further develop the machine. For example, we won the prize money from “GSB the Best SMEs Startup” for 1 million baht competition.”

“Furthermore, we also get support from Technology and Innovation-Based Enterprise Development Fund (TED Fund) to elaborate it to practical use and commercial production. Recently, we strive to build our brand named WOKA, under the Creative Engineering and Development (CED2), Thammasat University,” he adds.

“Our team has developed Space Walker to acquire quality equivalent to the imported ones. The price of similar products is about 5 million baht. However, it is not affordable and suitable for Thai’s people needs, while our product can be made within the budget of 50,000-60,000 baht only.  Currently, more than 200 Space Walkers were produced and sold by 60 healthcare institutions nationwide,” he continues.

“Our determination is to allow Thai people to access quality and affordable product. However, it is undeniable that doing business might not serve the needs of all target groups. Therefore, if the government sector encourages the use of this equipment in local healthcare organizations around the country, it will increase their opportunity to access the product. The government will encourage the use of the product in government organizations first but will not launch it to the international market in order to retain revenue to the company. After that, the firm will use that sum of money to further develop the product. As a result, when the company can do mass production, the product’s price will be cheaper,” Warath explains.

“We will work on the product’s standardization and expand it to the domestic market before launching to the international market in 2022.”

“In the future, we plan to expand its working functions to meet the needs of all groups of people such as people who cannot stand or walk. It is expected that the product’s prototype will be launched within next month. Moreover, we will develop the product to support patients with Cerebral Palsy and Orthopedic patients,” he adds.

“In the long run, we aim to develop the product that provides more solutions for more target groups such as people with arm and leg problem.

“The further development will be in collaboration with the Thammasat research centre. All in all, 70% of user groups will be the general public while 30% of them will be hospitals.”

“Currently, we are working to get listed on Thailand Innovation List. If the process is completed, it is expected that customer proportion will be different as 90% of the medical equipment customer group is the government sector,” he concludes.

Asymmetric synthesis of Aziridine with a new catalyst can help develop novel medicines

Aziridine structures are an important component of several medicines and pharmaceutical drugs, due to which reactions yielding desirable aziridine structures with high purity have received much interest. In a new study, scientists from Japan have reported a high yield of aziridines with high purity from oxazolones using a novel catalyst and look into the underlying mechanism, paving the way for future development of novel drugs and medicines.

“Oxazolones are well-known for their versatility in affording biologically active compounds,” explains Professor Shuichi Nakamura from Nagoya Institute of Technology (NITech), Japan, who studies asymmetric reactions.

“However, the enantioselective reactions of 2H-azirines with oxazolones have not been very fruitful, despite being touted as one of the most efficient methods to synthesize aziridines.”

In a new study recently published in Organic Letters, Prof. Nakamura along with his colleagues from NITech and Osaka University, Japan, explored this issue and, in a significant breakthrough, managed to obtain aziridine-oxazolone compounds in high yields (99%) as well as high enantioselectivity or purity (98%). In addition, the team used an original catalyst they developed to catalyze the reactions they studied.

The team started off by heating α-azideacrylates at 150°C in an organic solvent tetrahydrofuran (THF) to prepare 2H-azirines and then reacted them with oxazolones in presence of various organocatalysts to produce different aziridine-oxazolone compounds.

In particular, the team examined the effect of the catalyst cinchonine and various heteroarenecarbonyl and heteroarenesulfonyl groups in organocatalysts derived from cinchona alkaloids and found that reactions using catalysts with either a 2-pyridinesulfonyl group or an 8-quinolinesulfonyl group gave both a high yield (81-99%) as well high enantiopurity (93-98%).

In addition, scientists observed that the reaction between a 2H-azirine containing an ethyl ester group and an oxazolone with a 3, 5-dimethoxyphenyl group in presence of the catalyst with 8-quinolinesulfonyl group also gave high yields (98-99%) as well as enantiopurity (97-98%).

The team then moved on to exploring the reaction between 2H-azirine with ethyl ester group and a wider variety of oxazolones in presence of the catalyst with 8-quinolinesulfonyl group.

In all of the reactions, they observed high yields (77-99%) and enantiopurities (94-99%) except one for the case of an oxazolone bearing a benzyl group and the catalyst with a 2-pyridylsulfonyl group that only produced a moderate yield (61%) and purity (86%). Moreover, they were able to convert the obtained aziridines into various other enantiomers without any loss of purity.

Finally, the team proposed a catalytic mechanism and a transition state for the reaction of 2H-azirines with oxazolones in which the catalyst activates both the oxazolone and the 2H-azirine, which then react to give an “addition product” that, in turn, yields the aziridine with the regeneration of the catalyst.

While the detailed mechanism is yet to be clarified, scientists are excited by their findings and look forward to the method’s application in medicine and pharmacology.

“It has the potential to provide people with new medicines and create new drugs as well as drug candidates that are currently difficult to synthesize. Moreover, the catalyst used in this study can be used for many other stereoselective synthetic reactions,” observes an
optimistic Prof. Nakamura. 

Chulalongkorn University develop an embalming fluid to preserve animal cadavers

Chulalongkorn University’s Faculty of Veterinary Science (CUVET) has found formulas to preserve animal cadavers to be studied by students in place of carcinogenic formalin and are able to keep the cadavers soft for years.

The CUVET faculty members have spent over 4 years developing this embalming fluid to preserve the animal cadavers, aka “the headmasters”, for students to study.  This is to replace the foul-smelling and carcinogenic formalin, which can have seriously noxious health effects on par with cigarettes and asbestos, and has also been shown to be toxic to the environment.

Asst. Prof. Dr. Siripong Kiatkittikul, Head of the Department of Surgery and Director of the Animal Hospital revealed that this technology was developed in collaboration with the Departments of Physiology, Surgery, and Anatomy of CUVET.

 

“We have expanded on the technology that Chula Faculty of Medicine has used to preserve human cadavers and adapted it to be used with animal cadavers. At present, we have successfully created two formulas: the “formalin–free headmaster“ formula, which is used in anatomy classes that require relatively hard and dry bodies to study musculoskeletal structures.  The “soft headmaster“ formula is used on cadavers for students to practice surgery.  These cadavers need to be soft with pliable organs, joints and muscles just like those of real animals. “

 

“First, we experimented with chunks of meat, then the animal organs. Currently, the formulas are applied to the “headmasters” like dogs and cats, rabbits, pigs, sheep.  The exceptions are for horses and cows that we only embalm just parts of the animals.”

Asst. Prof. Dr. Sirakarnt added that the formulas can preserve the cadavers for up to 2-3 years in the freezer, and 3-4 months after they are removed from the freezer to be studied.  The formulas are also being developed to kill fungi and bacteria in the cadavers soon.

Curved plasmonic fluxes reveal new way to practical light manipulation within nanoscale

Scientists from Tomsk Polytechnic University jointly with Russian colleagues and researchers from the Technical University of Denmark for the first time have experimentally proved the existence of a two-dimensional (2D) curved flux of plasmonic quasiparticles, a plasmonic hook.

A flat 2D hook is smaller than a 3D hook and possesses new properties, due to them, the researchers consider it as the most promising transmitter in high-speed microoptical circuits. The research findings are published in Applied Physics Letters (IF: 3,597; Q1) academic journal.

Electrons transmit information in existing calculation devices. The scientists suppose if electrons are replaced by photons, light quanta, it will be possible to transmit the data literally at the speed of light. In order that microoptical circuits and optical computers would become ordinary devices and become mass-produced, it is required to find a way to compress light to the nanoscale.

“We are searching for new types of curved wave fluxes, which can solve this task. Previously, we simulated and experimentally proved the existence of photonic and acoustic hooks and now we have proved the existence of a plasmonic hook. Nowadays, it is the most promising method to transmit a signal. The plasmonic wavelength is shorter than a 3D wavelength in free space and the area of radiation localization is in nanoscale. It is a crucial indicator for miniaturization,” Igor Minin, Professor of the TPU Division for Electronic Engineering, a supervisor of the research work, says.

The authors of the article obtained a flat plasmonic hook using a simple and cheap focusing element. The flat plasmonic hook is an asymmetric dielectric particle sized 4-5 μm and about 0.25 μm thick. According to the scientists, the participle shape can be various, in this case, it was a microcube with a docked prism. This particle was placed on the 0.1 μm thick gold film, on the other side of the film, the diffraction grating was deposited.

During the experiments, the laser ray was directed at the diffraction grating. Plasmon resonance occurred next to the surface of the diffraction grafting under sunlight that is the sunlight was converted into plasmonic waves. These waves passed through the asymmetric dielectric particle focused in a 2D curved ray.

“We obtained a 2D curved ray due to a special shape of a dielectric particle. One of the mechanisms of sub-wave structured focusing is based on the phenomenon of a plasmonic nanojet that we managed to experimentally fix for the first time earlier. When we shift the free 3D space to plasmon polaritons, in other words, 2D space, the quantum nature of matter reveals,” Igor Minin, TPU Professor, initiator of the research work, says.

“It allows implementing implicitly new opportunities to control the interaction between matter and light, for instance, to implement biosensing methods based on the detection of micro- and nanoparticles, biomolecules in the near field. ”

“Of course, it is too early to speak about the application of results, it is a task for future research. Therefore, any research and experiments to transmit signals based on optical principles are still in the practice of fundamental research. Scientists of various fields will have to overcome many challenges to create, for instance, a productive optical computer or even efficient microcircuits. To overcome these challenges, 10-15 years might be spent,” Igor explains.

The research work was partially supported by a grant from the Russian Foundation for Basic Research (20-57-S52001) and the TPU Competitiveness Enhancement Program.

The researchers from Technical University of Denmark, Institute of Ultra-High Frequency Semiconductor Electronics of the Russian Academy of Sciences and Moscow Institute of Physics and Technology took part in the research work.

TPU scientists obtain high-entropy carbide in electric arc plasma

Scientists of Tomsk Polytechnic University have synthesized high-entropy carbide consisting of five various metals using a vacuum-free electric arc method. The research findings are published in the Journal of Engineering Physics and Thermophysics.

High-entropy carbides are a new class of materials simultaneously consisting of four or more various metals and carbon. Their main feature lies in the capability to endure high temperatures and energy flux densities. Combining various elements in the composition, it is possible to obtain the required mix of features (melting point, oxidation temperature, specific weight and others).

“High-entropy materials are called in such a way due to a relatively high degree of disorder in the crystalline lattice, as an atom of every chemical element possesses a certain size in the crystalline lattices. It causes structural distortions and can positively affect material properties,” Alexander Pak, Research Fellow of the TPU Research Center – Ecoenergy 4.0, explains.

The TPU scientists managed to synthesize high-entropy carbide consisting of Ti, Zr, Nb, Hf, Ta and C. Carbide was obtained using a vacuum-free electric arc synthesis. High temperatures are required for a reaction, in order, every primary component interacting with C connects to the face-centred cubic lattice and forms ultra-refractory carbide. Scientists use electric arc plasma to obtain it.

“We became the first who could obtain high-entropy carbide using a vacuum-free electric arc method. It is a great rarity and success for us to synthesize a material that has recently been discovered and to use our method at electric arc reactors created by our research team,” Alexander Pak adds.

“We are planning to improve a synthesis process to obtain a clearer and uncontaminated material, to reduce energy intensity, as well as to research material properties and synthesize high-entropy carbides of the other chemical composition.”

The research work is being conducted jointly with scientists of the A.V. Luikov Heat and Mass Transfer Institute of the National Academy of Sciences of Belarus. The scientists applied for a patent (method of producing TiZrNbHfTaC5 high-entropy carbide).