SIRIS-Lab/unlabelled-sti-corpus huggingface dataset:
Mechanisms and Energetics for Brønsted Acid-Catalyzed Glucose Condensation, Dehydration and Isomerization Reactions

The mechanisms and energetics for Bronsted acid-catalyzed glucose condensation, dehydration and isomerization reactions were discussed based on our earlier CPMD–MTD simulation results. Glucose condensation reaction is initiated by the protonation of C1–OH, whereas both dehydration and isomerization reactions are initiated by the protonation of C2–OH to form a common 5-member ring intermediate. Glucose dehydration to form HMF occurs via the direct cyclic mechanism, rather than via the open chain mechanism converting glucose to fructose then to HMF. Fructose is formed via a 1,2 hydride shift process following the formation of 5-member ring intermediate. The barriers for Bronsted acid-catalyzed glucose reactions are largely solvent induced due to the competition for proton from the solvent molecules.
Unfolding of electronic structure through induced representations of space groups: Application to Fe-based superconductors

We revisit the problem that relevant parts of bandstructures for a given cell choice can reflect exact or approximate higher symmetries of subsystems in the cell and can therefore be significantly simplified by an unfolding procedure that recovers the higher symmetry. We show that bandstructure unfolding can be understood as projection onto induced irreducible representations of a group obtained by extending the original group of translations with a number of additional symmetry operations. The resulting framework allows us to define a generalized unfolding procedure which includes the point group operations and can be applied to any quantity in the reciprocal space. The unfolding of the Brillouin zone follows naturally from the properties of the induced irreducible representations. In this context, we also introduce a procedure to derive tight-binding models of reduced dimensionality by making use of point group symmetries. Further, we show that careful consideration of unfolding has important consequences on the interpretation of angle resolved photoemission experiments. Finally, we apply the unfolding procedure to various representative examples of Fe-based superconductor compounds and show that the one iron picture arises as an irreducible representation of the glide mirror group and we comment on the consequences for the interpretation of one-iron versus two-iron Brillouin zone representations.
Modeling and Coordinated Control Strategy of Large Scale Grid-Connected Wind/Photovoltaic/Energy Storage Hybrid Energy Conversion System

An AC-linked large scale wind/photovoltaic (PV)/energy storage (ES) hybrid energy conversion system for grid-connected application was proposed in this paper. Wind energy conversion system (WECS) and PV generation system are the primary power sources of the hybrid system. The ES system, including battery and fuel cell (FC), is used as a backup and a power regulation unit to ensure continuous power supply and to take care of the intermittent nature of wind and photovoltaic resources. Static synchronous compensator (STATCOM) is employed to support the AC-linked bus voltage and improve low voltage ride through (LVRT) capability of the proposed system. An overall power coordinated control strategy is designed to manage real-power and reactive-power flows among the different energy sources, the storage unit, and the STATCOM system in the hybrid system. A simulation case study carried out on Western System Coordinating Council (WSCC) 3-machine 9-bus test system for the large scale hybrid energy conversion system has been developed using the DIgSILENT/Power Factory software platform. The hybrid system performance under different scenarios has been verified by simulation studies using practical load demand profiles and real weather data.
CRYOSURGICAL PROBE HAVING INSULATING AND HEATED SHEATHS

A cryosurgical probe (6) and method for treating cancer by cryosurgically destroying cancer cells by way of an ice ball (10) formed at the distal end (8) of the cryosurgical probe (6) and located in proximity to the cancerous tissue to be treated. The probe (6) is surrounded by a thermally insulating sheath (12, 14, 16, 20). By varying the length and thickness of the thermally insulating sheath (12, 14, 16, 20) as well as the length of the unsheathed distal tip (8) of the probe, the size and shape of the ice ball produced by the cryosurgical probe (6) can be tailored to correspond to the size, shape and location of the cancerous tissue so as to localize the cryogenic effect. Alternatively, the size and shape of the ice ball can be controlled by surrounding a cryosurgical probe (30) with a heated sheath (32) having a heating element (34) and a temperature sensor (38) to detect the temperature to which the sheath (32) is heated.
Antibody-Free method for counting all circulating tumour cells while maintaining them alive and intact

The problem: Cancer metastases are responsible for 90% of cancer-associated deaths. Circulating tumour cells (CTCs) that enter the blood stream on their way to potential metastatic sites are of obvious interest to evaluate correctly patient treatment and therefore influence outcome. CTCs have been identified in bladder, gastric, prostate, lung, breast and colon cancer. The only FDA approved CTCs detection system is Veridex’ CellSearch, which detects only epithelial cancer cells using antibody labelling. Recent evidence showed that non-epithelial cancer cells, which are not detected by CellSearch, are of critical importance in cancer progression. 

The idea: Our CTC detection method is based, instead of on antibody labelling, on metabolic features of cancer cells, thus providing potential for detecting both epithelial and mesenchymal cancer cells. Cancer cells induce environmental changes; e.g. in aerobic conditions most cancer cells display a high rate of glycolysis with lactate production in the cytosol, known as the Warburg effect.  By separating cells into micro-droplets of pico-liter volume using micro-fluidic water-in-oil emulsions and by characterising the microenvironment surrounding them, CTCs are detected by probing for environmental changes using pH sensitive dyes or enzymatic lactate assays. Our inexpensive diagnostic method provides a way to count and isolate CTCs without any labelling while maintaining cells alive and intact for further studies.

The project: “A CACTUS” is meant to assess the feasibility of commercialising the developed method for counting and sorting CTCs and develop a proper commercialisation strategy. The final goal of this project is to develop a proposition package consisting of technical proof of concept, the business proposition and strategy and an IP portfolio and strategy. This information will be presented in an attractive business plan that will be proposed to potential investors.
Remuneration Policies of Insurance Undertakings in Europe: Principles for a Deeply Heterogeneous Reality

Abstract The provisions on remuneration policies and practices under the Solvency II framework have been recently supplemented by an Opinion published by the European Insurance and Occupational Pensions Authority. The lack of any high-level standard in this respect in the Directive and the open character of most of the principles and orientations entailed in these instruments have led to a landscape of different national implementation rules, which also need to be connected to the different corporate governance provisions of each Member State. This chapter aims to analyse the European provisions about remuneration in the insurance industry and connect them first to those provided for the banking sector, and then to the Member States regimes that arise from both the implementation of the EU policies and the international rules, with the purpose of pointing out the weaker aspects of the existing regulation and proposing some possible ways for improvement.
Strengthen EXchanges of experiences to enhance quality products and services for sustainable development of TouRism in South Adriatic Region

The Southern Adriatic sub-region plays an important role in the Ionian Adriatic Region due to its intense traffic and cross-border cultural and economic interests; it is also characterized by a high rate of biodiversity and high ecological connectivity.
The tourism potential of the sub-region is very high, considering that it represents one of the fastest growing economic sectors and one of the greatest richness creators in the communities, thanks to the high presence of natural, cultural, historical and archaeological heritages. However, it is necessary to ensure that the development of this economic sector is as sustainable as possible and respectful of the social, cultural and environmental dynamics present. The project aims to elaborate a program of events and workshops aimed at improving the tourism offer of the territories concerned, respecting the cardinal principles of sustainable tourism. The approach followed in defining the project idea is to focus on issues of interest for marginal areas, characterized by the presence of natural areas, threatened by mass tourism and which could benefit from the development of sustainable tourism. The main objective is to create a shared space between the actors involved, within which to offer an opportunity to meet, exchange and increase knowledge, through the presentation of good practices, characteristics for each territory. In order to ensure satisfactory coverage of the issues of interest, each event and workshop will be themed. The program includes the development of 1 workshops program and 1 of B2B experience laboratories, integrated and complementary to each other, in terms of subjects and recipients. On each occasion, the participation of actors and operators from each territory is envisaged. Each program is composed by 1 event for each partner, with a total of 4 events planned, plus 1 organized by the LP focusing on the importance of the European Charter for Sustainable Tourism.
Photoluminescence characteristics of Cd1-xMn x Te single crystals grown by the vertical Bridgman method

Abstract In this paper, we report a systematic investigation of band-edge photoluminescence for Cd 1- x Mn x Te crystals grown by the vertical Bridgman method. The near-band-edge emissions of neutral acceptor-bound excitons (labeled as L1) were systematically investigated as a function of temperature and of alloy composition. The parameters that describe the temperature variation of the energy were evaluated by the semiempirical Varshni relation. From the temperature dependence of the full width at half maximum of the L1 emission line, the broadening factors Γ ( T ) were determined from the fit to the data. The activation energies of thermal quenching were obtained for the L1 peak from the temperature dependence of the bound exciton peaks and were found to decrease with increasing Mn concentration.
Connectivity of wireless multihop networks

Some fundamental topological characteristics of wireless multihop networks are studied in this paper. A necessary condition of that a wireless multihop network is connected is given out. And a new compute method of connectivity is given out. Suppose that the all nodes are distributed in a bounded square Ω according to Homogenous Poisson Process. A lower bound of the probability that G is connected is given out, with well considering the boundary effects. And a lower bound of the probability that G is k-connected and has k mutually vertex-disjoint backbone trees is also given out, with well considering the boundary effects, where k ∈ N, k ≤ |V| − 1.
Evaluation of the fast orthogonal search method for forecasting chloride levels in the Deltona groundwater supply (Florida, USA)

Despite the broad impact and importance of saltwater intrusion in coastal aquifers, little research has been directed towards forecasting saltwater intrusion in areas where the source of saltwater is uncertain. Saline contamination in inland groundwater supplies is a concern for numerous communities in the southern US including the city of Deltona, Florida. Furthermore, conventional numerical tools for forecasting saltwater contamination are heavily dependent on reliable characterization of the physical characteristics of underlying aquifers, information that is often absent or challenging to obtain. To overcome these limitations, a reliable alternative data-driven model for forecasting salinity in a groundwater supply was developed for Deltona using the fast orthogonal search (FOS) method. FOS was applied on monthly water-demand data and corresponding chloride concentrations at water supply wells. Groundwater salinity measurements from Deltona water supply wells were applied to evaluate the forecasting capability and accuracy of the FOS model. Accurate and reliable groundwater salinity forecasting is necessary to support effective and sustainable coastal-water resource planning and management. The available (27) water supply wells for Deltona were randomly split into three test groups for the purposes of FOS model development and performance assessment. Based on four performance indices (RMSE, RSR, NSEC, and R), the FOS model proved to be a reliable and robust forecaster of groundwater salinity. FOS is relatively inexpensive to apply, is not based on rigorous physical characterization of the water supply aquifer, and yields reliable estimates of groundwater salinity in active water supply wells.
Noradrenaline-induced spontaneous inhibitory postsynaptic currents in mouse basolateral nucleus of amygdala pyramidal neurons: Comparison with dopamine-induced currents

The basolateral nucleus of the amygdala (BLA) receives both noradrenergic and dopaminergic projections. These projections are thought to be important for modulation of amygdala neural circuits. In BLA pyramidal neurons, noradrenaline (NA) is known to facilitate gamma-aminobutyric acid (GABA)ergic spontaneous inhibitory postsynaptic currents (sIPSCs) through excitation of interneurons. Dopamine (DA) also is known to facilitate GABAergic sIPSCs in pyramidal neurons of the amygdala region including the BLA. It is unclear which neurotransmitter, NA or DA, is predominant in facilitating sIPSC in the BLA. Whether NA and DA facilitate sIPSC in different or the same pyramidal neurons also remains unknown. Herein, we employed the patch clamp recording technique on BLA pyramidal neurons in mouse brain slices, and compared the facilitating actions of NA and DA on sIPSCs. First NA and then DA, or first DA and then NA, were applied to a slice. NA enhanced sIPSC frequency in the majority (80-90%) of pyramidal neurons tested, whereas DA enhanced sIPSC frequency in relatively few neurons (approximately 30%). Neurons responding to NA alone and DA alone accounted, respectively, for 54.3% and 2.9% of the pyramidal neurons tested (11.4% of neurons responded to neither NA nor DA). Pyramidal neurons in which NA and DA both facilitated sIPSCs accounted for 31.4% of neurons tested. These results suggest that NA facilitates GABAergic sIPSCs in a larger proportion of mouse BLA pyramidal neurons than DA.
The significance of biologically active zones of the skin in the electric exchange of the body with the external environment (on the example, operational damage)

This work is devoted to the phenomenon occurring in long-term damage to the biologically active&#x0D; zones (BAZ) by metal spokes and leading to local and general disorders of the organism corresponding to&#x0D; the specific damaged BAZ.&#x0D; On a large clinical material of the application of the apparatuses for external trans-osseous fixation for the&#x0D; treatment of injuries of bones and joints, the author found the phenomenon of energetic exchange between the&#x0D; organism and environment, occurring through BAZ and representing a link of the functional system of adaptive&#x0D; regulation.&#x0D; This allows to attribute the disorders of the normal energetic exchange due to the skin damage, to important&#x0D; pathogenetic factors that must be considered in the treatment of trauma patients.&#x0D; For the first time, the nature of some complications developing in long-term trauma of BAZ, is established&#x0D; and scientifically proven.&#x0D; For the first time in academic medicine, the position on the role of BAZ as a functional system of adaptive&#x0D; regulation of the human body, is proposed and experimentally substantiated.
A parametrization of a steady periodic solution of the Fourier equation to model soil temperature dynamics

In dry days the temperature of the upper soil layers presents a characteristic asymmetric periodic-like pattern with a minimum in the morning and a maximum in the afternoon. In view of estimating the conductive heat component of the surface energy balance, at local, basin, and global scales, in this study we use a periodic series solution of the Fourier equation to develop a simple procedure to accurately reconstruct the soil temperature and heat flux profiles. The method is based on weighting and phasing the Fourier harmonics by means of coefficients which do not depend on the soil thermal properties but only depend on the shape of the temperature boundary condition. The proposed coefficients can be regarded to as site independent and with good approximation universal. In order to calibrate and test the procedure, measurements of soil temperature, soil heat flux, and soil water content, collected during the CividatEX Experiment (summer 2012, summer 2013, and spring and summer 2014), in Italy, were used. The method accurately reproduced the temperature observations at three measurement depths within the upper 20 cm soil layer. Once assessed the soil thermal conductivity, the method proved to be effective also in reproducing the measured soil heat flux. The procedure was furthermore validated reconstructing with good results the soil temperature dynamics measured by an independent micrometeorological station in a different environment.
Digital transformation of corporate processes and the INVYSYS learning system

Application of Building Information Modeling (BIM) system within our own product — interactive learning system (INVYSYS). Its digitisation and digital transformation into a “smart” learning system, while digital transformation of processes in the field through the deployment and use of cloud computing. The project is of strategic importance for the company in particular in the field of service innovation and subsequent innovation of in-house processes through the introduction of completely new services in the field of TZB.
Distributed incomplete polarization-OTDR based on polarization maintaining fiber for multi-event detection

Abstract A new scheme for the distributed intrusion detection system based on the polarization optical time domain reflectometry (POTDR) for multi-event detection is proposed in this paper. In the scheme, a polarization maintaining fiber is employed as the distributed pressure sensor instead of the single mode fiber. The working principle of the system is described in detail, and an experimental system is set up to confirm the ability to detect several intrusion events happened at the same time along the sensing fiber by measuring the polarization mode coupling coefficient caused by the pressure and three simulated events. And from the final experimental result denoised using wavelet transformation, the three intrusion events can be significantly detected.
Event-related potential measures of processing during an Implicit Association Test

This study recorded event-related potentials during the Implicit Association Test, a reaction time-based measure of implicit social attitudes. An N2, peaking at about 350 ms was larger in the incongruent condition, perhaps reflecting greater response monitoring. The latency to an initial late positive peak, P300, a measure of stimulus classification time, was not longer in the incongruent than the congruent condition. A later small amplitude positive peak was observed in the incongruent condition, but was not visible in the congruent condition. The additional positivity is consistent with the hypothesis that participants make an initial decision to determine whether a task set switch is required, and then make a subsequent decision about the correct response, perhaps resulting in delayed reaction times.
Encapsulated catalysts in flow chemistry for continues chemical processes

Improvements in both the economic effectiveness and environmental impacts to the fine chemical industry are necessary to maintain European competitiveness and reduce the global environmental cost of these products. Both of these goals can be accomplished by making existing processes more efficient. Catalysts facilitate the development of efficient chemical processes and are required for the sophisticated transformations used to produce high valued pharmaceutical and fragrance products. A process using catalysis requires significantly less energy, reactor volume, input feedstock and solvents in order to produce a desired material. However, the application of homogeneous catalysts for sophisticated transformations requires separating the product from the catalyst. Many separation processes are destructive to the catalytic material leading to limited use, driving the cost of the catalyst and the subsequent fine chemical processes. This separation limits reactor design to batch reactors, which are less efficient in terms of energy and solvents than flow type reactors. The EnCatFlow project will utilize encapsulated catalysts in a flow membrane reactor. This would uniquely offer both catalyst protection and recyclability in a flow reactor format unlike any currently developing technologies, allowing the development of novel commercially competing processes. Our team includes two industrial partners that have expertise in flow chemistry, catalyst development, and an expert from the Energy Research Centre of the Netherlands, next to the PI and the technical researcher. A envisioned process is discussed with PWF as the end-user. The final goal is to develop commercially competing processes and to start a spin off company to commercialise the technology.
Calibrating ecological indicator values and niche width for a Mediterranean flora

ou non, émanant des établissements d'enseignement et de recherche français ou étrangers, des laboratoires publics ou privés.
High-pressure behavior of β-Ga2O3 nanocrystals

Freestanding nanocrystalline β-Ga2O3 particles with an average grain size of 14 nm prepared by chemical method was investigated by angle-dispersive synchrotron x-ray diffraction in diamond-anvil cell up to 64.9 GPa at ambient temperature. The evolution of x-ray diffraction patterns indicated that nanocrystalline monoclinic β-Ga2O3 underwent a phase transition to rhombohedral α-Ga2O3. It was found that β- to α-Ga2O3 transition began at about 13.6–16.4 GPa, and extended up to 39.2 GPa. At the highest pressure used, only α-Ga2O3 was present, which remained after pressure release. A Birch–Murnaghan fit to the P-V data yielded a zero-pressure bulk modulus at fixed B0′=4: B0=228(9) GPa and B0=333(19) GPa for β-Ga2O3 and α-Ga2O3 phases, respectively. We compared our results with bulk β-Ga2O3, and concluded that the phase-transition pressure and bulk modulus of nanocrystalline β-Ga2O3 are higher than those of bulk counterpart.