jimnoneill/paper-to-field-training huggingface dataset:
An unreported bis-abeo cembrane-type \nditerpenoid with antioxidative and antilipoxygenase \nactivities from the muricid gastropod \nmollusc Chicoreus ramosus

Field: Chemistry (Physical Sciences)

The chemical analyses of ethyl acetate-methanol (EtOAc-MeOH) extract of muricid gastropod mollusk, Chicoreus ramosus from the southeastern coast of Indian peninsular led to the identification of unprecedented cembrane-type diterpenoid, which was characterized as (3E, 6E, 10E)-8a-butoxy-17(15→14), 20(12→11)-bis-abeo-cembra-3,6,10,14(17),15-pentaene (1). The structure of the studied cembrane was unambiguously assigned through the extensive spectroscopic experimentations. The antioxidant potentials of the bis-abeo cembrane as determined by in vitro 2,2-diphenyl-1-picrylhydrazyl and 2,2'-azino-bis-3-ethylbenzothiozoline-6-sulfonic acid diammonium salt radical quenching potentials were greater (IC50 < 0.40 mg/mL) related to α-tocopherol (IC50 > 0.60 mg/mL). The pro-inflammatory anti-5-lipoxygenase potential of studied cembrane was higher (IC50 < 0.80 mg/mL) related to those demonstrated by ibuprofen and sodium salicylate (IC50 > 0.90 mg/mL).
Kinetic intermediates of unfolding of dimeric prostatic phosphatase.

Field: Biochemistry, Genetics and Molecular Biology (Life Sciences)

Kinetics of guanidine hydrochloride (GdnHCl)-induced unfolding of human prostatic acid phosphatase (hPAP), a homodimer of 50 kDa subunit molecular mass was investigated with enzyme activity measurements, capacity for binding an external hydrophobic probe, 1-anilinonaphtalene-8-sulfonate (ANS), accessibility of thiols to reaction with 5,5'-dithiobis(2-nitrobenzoic acid) (DTNB) and 2-(4'-maleimidylanilino)naphthalene-6-sulfonate (MIANS) and ability to bind Congo red dye. Kinetic analysis was performed to describe a possible mechanism of hPAP unfolding and dissociation that leads to generation of an inactive monomeric intermediate that resembles, in solution of 1.25 M GdnHCl pH 7.5, at 20 degrees C, in equilibrium, a molten globule state. The reaction of hPAP inactivation in 1.25 M GdnHCl followed first order kinetics with the reaction rate constant 0.0715 +/- 0.0024 min(-1) . The rate constants of similar range were found for the pseudo-first-order reactions of ANS and Congo red binding: 0.0366 +/- 0.0018 min(-1) and 0.0409 +/- 0.0052 min(-1), respectively. Free thiol groups, inaccessible in the native protein, were gradually becoming, with the progress of unfolding, exposed for the reactions with DTNB and MIANS, with the pseudo-first-order reaction rate constants 0.327 +/- 0.014 min(-1) and 0.216 +/- 0.010 min(-1), respectively. The data indicated that in the course of hPAP denaturation exposure of thiol groups to reagents took place faster than the enzyme inactivation and exposure of the protein hydrophobic surface. This suggested the existence of a catalytically active, partially unfolded, but probably dimeric kinetic intermediate in the process of hPAP unfolding. On the other hand, the protein inactivation was accompanied by exposure of a hydrophobic, ANS-binding surface, and with an increased capacity to bind Congo red. Together with previous studies these results suggest that the stability of the catalytically active conformation of the enzyme depends mainly on the dimeric structure of the native hPAP.
Convenient Rearrangement Reaction of 2‐Chloroglycidic Esters by PPh3: A New Synthetic Method of 3‐Chloro‐2‐keto Esters.

Field: Chemistry (Physical Sciences)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
[Structural and functional changes of endothelium of heart's vessels of old rats according to immunistochemical studies.]

Field: Medicine (Health Sciences)

The aim of the work is to investigate the morphofunctional changes of the vascular endothelium in different parts of the heart of aging rats using immunohistochemical detection of Willebrand factor. Reactive, dystrophic and pathological changes of endotheliocytes in different parts of the heart of old (18-23 months) rats were first identified using an immunohistochemical marker vWF. They are most expressed in the endothelium of the arterial vessels of the aortic root, coronary arteries of the epicardium, and myocardial capillaries. In this work, desquamation of endothelial cells into the blood, death of capillaries in the myocardium, an increase in the number of sinusoidal vessels, their mummification, the formation of lacunae or cisterns filled with blood were found. It has been established that the secretory activity of endotheliocytes increases with aging. It is established that the products of protein metabolism, pigment, Weibel-Palade body and various sizes of blood clots accumulate in the cavity subaroundal cone of heart in old rats. Pigment structures were also found in the valves and the fibrous ring. The data obtained are of great diagnostic value.
193-nm photodissociation of acryloyl chloride to probe the unimolecular dissociation of CH2CHCO radicals and CH2CCO

Field: Chemistry (Physical Sciences)

The work presented here uses photofragment translational spectroscopy to investigate the primary and secondary dissociation channels of acryloyl chloride (CH2=CHCOCl) excited at 193 nm. Three primary channels were observed. Two C–Cl fission channels occur, one producing fragments with high kinetic recoil energies and the other producing fragments with low translational energies. These channels produced nascent CH2CHCO radicals with internal energies ranging from 23 to 66 kcal/mol for the high-translational-energy channel and from 50 to 68 kcal/mol for the low-translational-energy channel. We found that all nascent CH2CHCO radicals were unstable to CH2CH+CO formation, in agreement with the G3//B3LYP barrier height of 22.4 kcal/mol to within experimental and computational uncertainties. The third primary channel is HCl elimination. All of the nascent CH2CCO coproducts were found to have enough internal energy to dissociate, producing CH2C:+CO, in qualitative agreement with the G3//B3LYP barrier of 39.5 kcal/mol. We derive from the experimental results an upper limit of 23±3 kcal/mol for the zero-point-corrected barrier to the unimolecular dissociation of the CH2CHCO radical to form CH2CH+CO.
thematic review Thematic Review Series: Glycerolipids DGAT enzymes and triacylglycerol biosynthesis

Field: Biochemistry, Genetics and Molecular Biology (Life Sciences)

Abstract Triacylglycerols (triglycerides) (TGs) are the major storage molecules of metabolic energy and FAs in most living organisms. Excessive accumulation of TGs, however, is associated with human diseases, such as obesity, diabetes mellitus, and steatohepatitis. The final and the only committed step in the biosynthesis of TGs is catalyzed by acyl-CoA:diacylglycerol acyltransferase (DGAT) enzymes. The genes encoding two DGAT enzymes, DGAT1 and DGAT2, were identified in the past decade, and the use of molecular tools, including mice deficient in either enzyme, has shed light on their functions. Although DGAT enzymes are involved in TG synthesis, they have distinct protein sequences and differ in their biochemical, cellular, and physiological functions. Both enzymes may be useful as therapeutic targets for diseases. Here we review the current knowledge of DGAT enzymes, focusing on new advances since the cloning of their genes, including possible roles in human health and diseases.—Yen, C-L. E., S. J. Stone, S. Koliwad, C. Harris, and R. V. Farese, Jr. DGAT enzymes and triacylglycerol biosynthesis.
3D Road Geometry Based Optimal Truck Fuel Economy

Field: Engineering (Physical Sciences)

This paper investigates the benefit of using a 3D road geometry based optimal powertrain control strategy in reducing the fuel consumption of heavy trucks. The optimal control, which applies a sequential quadratic programming (SQP) method, is designed to predict the optimal truck velocity trajectory, based on the road geometry with the consideration of fuel consumption and travel time. The fuel consumption baseline is developed based on an engineering drive cycle. Computer simulations of a Class 8 truck are conducted with Intermap real 3D road geometry. Simulation results show that the optimal control strategy is able to reduce the fuel consumption with equal or even shorter travel time, when compared to the defined baseline.
Last-mile delivery with electric vehicles, unmanned aerial vehicles, and e-scooters and e-bikes

Field: Engineering (Physical Sciences)

Intense growth of e-commerce over the last years has been recognized to have a strong impact on logistics and transportation, and particularly on different modes of last-mile deliveries in urban areas. Simultaneously, many European regulations have imposed strict environmental limitations in terms of decreased air and noise pollution in urban areas. In such circumstances, logistics and transportation sector needs to offer more efficient and more environmental ways to deliver goods. In this paper, we consider electric vehicles (EV) and different concepts of EVs, like unmanned aerial vehicles, e-scooters, and e-bikes as appropriate solutions for last-mile deliveries from the environmental perspective and lifecycle costs.
Serum interleukin-12 levels in patients undergoing allogeneic or autologous bone marrow transplantation.

Field: Medicine (Health Sciences)

Cytokines may be helpful in promoting hematopoietic reconstitution but have also an impact on the cellular interactions that contribute to GvHD and immunologic graft rejection. Because IL-12 is emerging as a central cytokine in immune response, we have investigated its levels in serum samples of patients undergoing bone marrow transplantation and transplant-related events. A double-antibody radioimmunoassay method for monitoring levels of endogenous IL-12, before and after allogeneic (27 patients) or autologous (19 patients) bone marrow transplantation, was used. The serum levels of IL-12 after allogeneic BMT were found to be relatively low (140-300 pg/ml) and similar to the IL-12 levels in the healthy donors (183 pg/ml). Seric IL-12 levels following autologous BMT (350 pg/ml) were higher than those observed in patients receiving an allogeneic BMT and in healthy donors. Our data indicate that the occurrence of GvHD and the development of infection after allogeneic BMT are not associated with IL-12 induction which suggests a possible down-regulation due to immunosuppressive treatment.
Application of Convolutional Neural Network to Prediction of Temperature Distribution in Data Centers

Field: Computer Science (Physical Sciences)

We propose a model for predicting the temperature distribution in data centers by using a convolutional neural network (CNN). Changes in the temperature distribution depend on the local structure of the data center, such as equipment locations and server types. Although the various physical relations in a data center were modeled as a network in our previous work, there were no mechanisms for automatically extracting the structure of the data center. The use of a CNN is a technique for learning local structure adaptively, which allows learning complicated features, such as the various physical relations in a data center. We evaluate the performance of the proposed model by using actual data from an experimental data center. The evaluation indicates that the proposed model can predict 20-minute future temperature distributions over 48 locations in 0.42 ms, with a root mean square error (RMSE) of 0.96 degrees. This accuracy is a dramatic improvement over simple linear prediction models, and the accuracy is sufficient to allow for control of air conditioners on the basis of these temperature predictions.
Acquisition of Dexterous Behaviours by Evolutionary Action Intelligence

Field: Computer Science (Physical Sciences)

In this paper a method for evolutionary acquisition of dexterous behaviors based on the Intelligent Composite Motion Control, ICMC, is presented. The paper describes how adaptive robot behavior acquisition is achieved by the presented method in evolutionary manner. The methodology does not simply aim at ad hoc execution of given tasks but acquisition of dexterous behaviors that can be effectively utilized to more complex behaviours through action intelligence evolution. The method is then applied to the dexterous ball catch and throw behaviour to demonstrate the process
An Efficient Synthesis of Simple &#946;,&#946; -Cyclobisalkylated Melatoninergic Phenylalkylamides

Field: Pharmacology, Toxicology and Pharmaceutics (Life Sciences)

Treatment of the commercially available 3-methoxyphenylacetonitrile (6) with sodium bis (trimethylsilyl)amide and subsequent cyclobisalkylation with alpha,omega-dibromo or dichloroalkanes in THF at 0 degrees C produces adducts 7a-d, which serve as precursors to the new conformationally constrained phenylalkylamides 5a-h. Compounds 5a-f are melatonin receptor agonists in the Xenopus laevis melanophore assay and their potency depends on both the size of the R group and the size and shape of the beta-substituent. The fact that the cyclohexano-substituted analogs 5g and 5h are, regardless of the size of the R group, melatonin receptor antagonists, implies that the nature of the beta-substituent constitutes a functional probe in the receptor's dynamic agonist-antagonist conformational equilibrium
Lightning-fast and privacy-preserving outsourced computation in the cloud

Field: Computer Science (Physical Sciences)

Abstract In this paper, we propose a framework for lightning-fast privacy-preserving outsourced computation framework in the cloud, which we refer to as LightCom. Using LightCom, a user can securely achieve the outsource data storage and fast, secure data processing in a single cloud server different from the existing multi-server outsourced computation model. Specifically, we first present a general secure computation framework for LightCom under the cloud server equipped with multiple Trusted Processing Units (TPUs), which face the side-channel attack. Under the LightCom, we design two specified fast processing toolkits, which allow the user to achieve the commonly-used secure integer computation and secure floating-point computation against the side-channel information leakage of TPUs, respectively. Furthermore, our LightCom can also guarantee access pattern protection during the data processing and achieve private user information retrieve after the computation. We prove that the proposed LightCom can successfully achieve the goal of single cloud outsourced data processing to avoid the extra computation server and trusted computation server, and demonstrate the utility and the efficiency of LightCom using simulations.
Hexapod moving in complex terrains via a new adaptive CPG gait design

Field: Computer Science (Physical Sciences)

Purpose – This paper aims to use the Matsuoka’s neural oscillators as the basic units of central pattern generator (CPG), and to offer a new CPG architecture consisting of a dual neural CPG of circular three links responsible for oscillator phase adjustment, to which an external neural oscillator is added, which is responsible for oscillator amplitude adjustment, to control foot depth to balance itself when treading on an obstacle. Design/methodology/approach – It is equipped with a triaxial accelerometer and a triaxial gyroscope to obtain a real-time robot attitude, and to disintegrate the foot tilt in each direction as feedback signals to CPG to restore the robot’ horizontal attitude on an uneven terrain. The CPG controller is a distributed control method, with each foot controller consisting of a group of reciprocally coupling neural oscillators and sensors to generate different locomotion by different coupling patterns. Findings – The experiment results indicated that the gait design method succeeded in enabling a steady hexapod walking on a rugged terrain, the mode of response is such that adjustments can only be made when the tilt occurs. Practical implications – The overall control mechanism uses individual foot tilts as the feedback signal input to the neural oscillators to change the amplitude and compare against the reference oscillators of fixed amplitude to generate the foot height reference signals that can balance the body, and then convert the control signals, through a trajectory generator, to foot trajectories from which the actual rotation angle of servo motors can be obtained through inverse kinematics to achieve the effect of restoring the balance when traveling. Originality/value – The controller design based on the bionic CPG model has the ability to restore its balance when its body tilts. In addition to the model’s ability to control locomotion, from the response waveforms of this experiment, it can also be noticed that it can control the foot depth to balance itself when treading on an obstacle, and it can adapt to a changing environment. When the obstacle is removed, the robot can quickly regain its balance.
Geosiphon(TM) Ground Water Remediation System Hydraulics

Field: Environmental Science (Physical Sciences)

Two, pilot-scale, GeoSiphon(TM) systems have been installed and tested for the treatment of contaminated ground water at the Savannah River Site (SRS). These systems consisted of an in situ treatment cell located in an area of higher hydraulic head and a siphon connecting the cell to a surface stream at a lower hydraulic head. The siphon induced contaminated ground water flow through a permeable treatment media in the cells and transported the treated water to the discharge points in a surface stream. The hydraulic head available to drive the systems is divided between the head losses associated with the treatment cell and siphon. Six different treatment cell configurations and seven different siphon configurations have been hydraulically evaluated in association with both pilot-scale systems. The results provide valuable guidelines for the design of GeoSiphon systems.
Hierarchical Interaction between Food Diversity and Competition in Brackish Fish Species in South Korea

Field: Agricultural and Biological Sciences (Life Sciences)

Information about the food sources for fish is important not only for predation and food competition, but also for the direct impact on organism interactions, relationships, and biodiversity within aquatic ecosystems. We analyzed the food sources of 21 fish species in 9 families of 6 orders based on the literature data from brackish ecosystems in South Korea to improve the understanding of the estuarine ecosystem. The food sources of the 21 fish species contained 173 families, 86 orders, 39 classes, and 22 phyla. The 21 fish species were classified into 4 groups using hierarchical analysis based on their food sources: Group 1 fishes mainly consumed Amphipoda; Group 2 fishes were zooplanktivores; Group 3 were omnivorous; and Group 4 consumed small food sources, such as Nematoda, Corophiidae, and Harpacticidae. The feeding competition index was relatively high within each group, but the competition index for Group 3, the omnivorous fishes, was low. Network analysis and hub scores represented the importance of food sources consumed by each fish species by showing the connections between the fish and their prey. Polychaeta, Actinopterygii, and Decapoda were the most commonly consumed food sources. Food source diversity was high for zooplanktivores (group 2). Additionally, the food contents of each fish species were classified into freshwater and marine sources for identifying the habitats of the food sources. Trophic level measuring values using the data were similar to the reported literature data. This study can be utilized for understanding estuarine ecosystems and identifying food relationships.
Fading spectrophotometric determination of methimazole using Fe(III)-potassium thiocyanate

Field: Chemistry (Physical Sciences)

In acidic condition with pH=3.6, Fe3+ can react with potassium thiocyanate to form the red complexes of Fe(SCN)2+. Hydrosulfuryl(-SH) in methimazole molecule can reduce Fe3+ to Fe2+, which results in the fading of the red complexes of Fe(SCN)2+, and the fading degree is directly proportional to the addition of methimazole. So, the content of methimazole can be indirectly measured by measuring the decrease value of absorbance of the red complexes of Fe(SCN)2+. Accordingly, a new method for the fading spectrophotometric determination of methimazole using Fe(Ш)-potassium thiocyanate has been established. The method has been applied to the determination of methimazole in drugs, and the results are basically consistent with the results of pharmacopoeia.
Chest X-Ray Images to Differentiate COVID-19 from Pneumonia with Artificial Intelligence Techniques

Field: Computer Science (Physical Sciences)

This paper presents an automated and noninvasive technique to discriminate COVID-19 patients from pneumonia patients using chest X-ray images and artificial intelligence. The reverse transcription-polymerase chain reaction (RT-PCR) test is commonly administered to detect COVID-19. However, the RT-PCR test necessitates person-to-person contact to administer, requires variable time to produce results, and is expensive. Moreover, this test is still unreachable to the significant global population. The chest X-ray images can play an important role here as the X-ray machines are commonly available at any healthcare facility. However, the chest X-ray images of COVID-19 and viral pneumonia patients are very similar and often lead to misdiagnosis subjectively. This investigation has employed two algorithms to solve this problem objectively. One algorithm uses lower-dimension encoded features extracted from the X-ray images and applies them to the machine learning algorithms for final classification. The other algorithm relies on the inbuilt feature extractor network to extract features from the X-ray images and classifies them with a pretrained deep neural network VGG16. The simulation results show that the proposed two algorithms can extricate COVID-19 patients from pneumonia with the best accuracy of 100% and 98.1%, employing VGG16 and the machine learning algorithm, respectively. The performances of these two algorithms have also been collated with those of other existing state-of-the-art methods.