Histone Lysine Specific Demethylase 1 (LSD1) is overexpressed in many cancers and become a new target for anticancer drugs. In recent years, the small molecule inhibitors with various structures targeting LSD1 have been reported. Here we report the binding interaction modes of a series of thieno[3,2-b]pyrrole-5-carboxamides LSD1 inhibitors using molecular docking, three dimensional quantitative structure-activity relationship (3D-QSAR). Comparative molecular field analysis (CoMFA q²=0.783, r²=0.944, r²_pred=0.851) and Comparative molecular similarity indices analysis (CoMSIA q²=0.728, r²=0.982, r²_pred=0.814) were used to establish 3D-QSAR models, which had good verification and prediction capabilities. Based on the contour maps and the information of molecular docking, 8 novel small molecules were designed in silico, among which compounds D4, D5 and D8 with high predictive activity were subjected to further molecular dynamics simulations (MD), and their possible binding modes were explored. It was found that Asn535 plays a crucial role in stabilizing the inhibitors. Furthermore, the ADME and bioavailability prediction for D4, D5 and D8 were carried out. The results would provide valuable guidance for designing new reversible LSD1 inhibitors in the future.

Graphene is a two-dimensional carbon atom with a hexagonal honeycomb-like structure in which the sp2 hybridization occurs. GO sheets are highly oxidized and have oxygen-containing groups. Properties of electronics, mechanicals, magnetics, and optics, Oxidized Methods for Brodies, Staudenmaier, Hofmann, Hummers, Improved Hummers, and Tour's Methods Reduction of Graphene oxide methods Chemical Reduction using sodium borohydride, 2,4-dinitrophenylhydrazine, Hydrazine hydrate, Thermal Reduction, Hydrothermal Reduction, Exfoliation Reduction, Catalytic Reduction, and the green synthesis route for reduction, The reduction of graphene oxide has a wide range of applications, including its use in energy storage devices for Solar cells, Supercapacitors, LIG-based sensors, River Water sensors, Battery, hydrovoltaic generators, OLED Screen, and Graphene Shielding. This review will determine the future of a few applications.

Background. Currently, most of the research in breast cancer has been carried out in conventional two-dimensional (2D) cell culture due to its practical benefits, however, the three-dimensional (3D) cell culture is becoming the model of choice in cancer research because it allows cell-cell and cell-extracellular matrix (ECM) interactions, mimicking the native microenvironment of tumors in vivo. Methods. in this work, we evaluated the effect of 3D cell organization on the expression pattern of miRNAs (by Small-RNAseq) and mRNAs (by microarrays) in the breast cancer SKBR3 cell line and analyzed the biological processes and signaling pathways regulated by the differ-entially expressed protein-coding genes (DE-mRNAs) and miRNAs (DE-microRNAs) found in the organoids. Results. We obtained well-defined cell-aggregated organoids with a grape cluster-like morphology with a size up to 9.2×105 μm3. The transcriptomic assays showed that cell growth in organoids significantly affected (all p < 0.01) the gene expression patterns of both, miRNAs and mRNAs, finding 20 upregulated and 19 downregulated DE-microRNAs, as well as 49 upregulated and 123 downregulated DE-mRNAs. In silico analysis showed that a subset of 11 upregulated DE-microRNAs target 70 downregulated DE-mRNAs. These genes are involved in 150 gene on-tology (GO) biological processes such as regulation of cell morphogenesis, regulation of cell shape, regulation of canonical Wnt signaling pathway, morphogenesis of epithelium, regulation of cy-toskeleton organization, as well as in the MAPK and AGE-RAGE signaling KEGG-pathways. In-terestingly, hsa-mir-122-5p (Fold Change (FC)=15.4), hsa-mir-369-3p (FC=11.4), and hsa-mir-10b-5p (FC=20.1) regulated up to the 81 % of the 70 downregulated DE-mRNAs. Conclu-sion, the organotypic 3D cell-organization architecture of breast cancer SKBR3 cells impacts the expression pattern of miRNAs-mRNAs network mainly through overexpression of hsa-mir-122-5p, hsa-mir-369-3p, and hsa-mir-10b-5p. All these findings suggest that the interaction between cell-cell and cell-ECM as well as the change in the culture architecture impacts gene ex-pression, and therefore, support the pertinence of migrating breast cancer research from conven-tional cultures to 3D models.

Medical image segmentation is a critical step in various healthcare applications, aiding in diagnosis, treatment planning, and disease monitoring. In this study, we investigate the efficacy of a segmentation approach based on the 2D wavelet transform. Leveraging a dataset comprising 10 diverse medical images, we evaluate the performance of our segmentation method using three key metrics: accuracy, precision, and recall. Our findings demonstrate that the proposed approach enhances segmentation accuracy, offering promising results compared to existing methods. By harnessing the multi-resolution feature extraction capabilities of the 2D wavelet transform, our method achieves improved delineation of medical image structures, paving the way for more accurate and efficient healthcare interventions.

This paper presents a study of the 2D roughness profiles on a flat surface generated on a steel work piece, by ball nose end milling, with linear equidistant tool paths (pick-intervals). The milled surface exploration with a surface roughness tester (on pick and feed directions) produces usually 2D roughness profiles having periodical evolutions. These evolutions can be seen as time-dependent signals, describable as a sum of sinusoidal components (the wavelength of each component being regarded as a period). In order to detect a well approximated description of these components, two appropriate signal processing techniques are used in this work: first technique provides a direct mathematical (analytical) description and is based on computer aided curve (signal) fitting (more accurate), the second technique (providing an indirect and incomplete description) is based on the spectrum generated by fast Fourier transform (less accurate). This study can be seen as a way for a better understanding the interaction between the tool and the work piece or to achieve a mathematical description of the machined surface microgeometry in terms of roughness (e. g. its description being a collection of closely spaced 2D roughness profiles).

Layered halide perovskites have emerged as a promising contender in solid-state lighting thanks to their tunable bandgap, high luminescence quantum yield, and high color purity. However, the fabrication of perovskite light-emitting devices in laboratories usually experiences low de-vice-to-device reproducibility since perovskite crystallization is highly sensitive to ambient condi-tions, such as humidity and temperature. Although device processing inside gloveboxes is primarily used to reduce the influence of oxygen and moisture, several extraneous variables, including gas-eous pollution traces and thermal fluctuations in the inert atmosphere or contaminations from re-sidual solvents confined in the enclosed environment, can destabilize the crystallization process and alter the properties of the emissive layers. Here, we examine different experimental set-ups for spin-coating deposition of layered perovskites in inert atmospheres and their influences on the formation of polycrystalline thin films. Our results demonstrate that fluctuations in the glovebox properties (concentrations of residual O2 and H2O or solvent traces), even in very short timescales, can negatively impact the consistency of the perovskite film formation, while thermal variation plays a relatively minor role in this phenomenon. Furthermore, careful storage of chemical species inside the workstation is critical for reproducing high-quality perovskite layers. Consequently, when applying our most controlled environment for perovskite deposition, the photoluminescence life-time of perovskite thin films shows a standard deviation of only 3%, whereas the reference set-up yields a 15% standard deviation. Regarding complete perovskite light-emitting diodes, the uncer-tainties in statistical luminance and EQE data are significantly reduced from 230% and 140% to 38% and 42%, respectively.

Chaotic theory is commonly being researched for application in image encryption scheme (IES). In this paper, a novel two-dimensional cross hyperchaotic Sine-modulation-Logistic map (2D-CHSLM) based on the famous Sine and Logistic maps. The hyperchaotic behaviors of 2D-CHSLM is testified with the help of their bifurcation diagrams, trajectory plots, Lyapunov exponents, sample entropy, C0 complexity, permutation entropy and 0-1 test. A new bit-level IES with traditional encryption structure is proposed utilizing 2D-CHSLM. The 2D-CHSLM-IES performs a 2D-CHSLM-based bit-level confusion using zig-zag transform and a 2D-CHSLM-based cross coupled diffusion operations for generating a highly secure cipher-image. Then the simulations and security analyses are further carried out with the help of key space, key sensitivity, histogram, correlation, information entropy, differential attack, noise and data loss attacks, prove that the security of the proposed 2D-CHSLM-IES

Chiral semiconductor nanostructures and nanoparticles are promising materials for applications in biological sensing, enantioselective separation, photonics, and spin-polarized devices. Here, we have studied the induction of chirality in atomically thin only 2 monolayers thick CdSe nanoplatelets (NPLs) grown by a colloidal method and exchanged with L-alanine and L-phenylalanine as model thiol-free chiral ligands. We have developed a novel two-step approach to completely exchange the native oleic acid ligands for chiral amino acids at the basal planes of NPLs. We performed an analysis of the optical and chiroptical properties of the chiral CdSe nanoplatelets with amino acids, which was supplemented by an analysis of the composition and coordination of ligands. After the exchange, the nanoplatelets retain HH, LH and SO exciton absorbance and bright HH exciton luminescence. Capping with thiol-free enantiomer amino acid ligands induce pronounced chirality of excitons in the nanoplatelets, as proven by circular dichroism spectroscopy, with high dissymmetry g-factor up to 3.4 × 10−3 achieved for HH excitons in the case of L-phenylalanine.

Optical parametric amplification (OPA) represents a powerful solution to achieve broadband amplification in wavelength ranges beyond the scope of conventional gain media, for generating high-power optical pulses, optical microcombs, entangled photon pairs and a wide range of other applications. Here, we demonstrate optical parametric amplifiers based on silicon nitride (Si₃N₄) waveguides integrated with two-dimensional (2D) layered graphene oxide (GO) films. We achieve precise control over the thickness, length, and position of the GO films using a transfer-free, layer-by-layer coating method combined with accurate window opening in the chip cladding using photolithography. Detailed OPA measurements with a pulsed pump for the fabricated devices with different GO film thicknesses and lengths show a maximum parametric gain of ~24.0 dB, representing a ~12.2 dB improvement relative to the device without GO. We perform a theoretical analysis of the device performance, achieving good agreement with experiment and showing that there is substantial room for further improvement. This work demonstrates a new way of achieving high photonic integrated OPA performance by incorporating 2D materials.

Informational (Shannon) measures of symmetry are introduced and analyzed for the patterns built of 1D and 2D shapes. The informational measure of symmetry Hsym (G) characterizes the an averaged uncertainty in the presence of symmetry elements from the group G in a given pattern; whereas the Shannon-like measure of symmetry Ωsym (G) quantifies averaged uncertainty of appearance of shapes possessing in total n elements of symmetry belonging to group G in a given pattern. Hsym(G1)=Ωsym(G1)=0 for the patterns built of irregular, non-symmetric shapes. Both of informational measures of symmetry are intensive parameters of the pattern and do not depend on the number of shapes, their size and area of the pattern. They are also insensitive to the long-range order inherent for the pattern. Informational measures of symmetry of fractal patterns are addressed. The mixed patterns including curves and shapes are considered. Time evolution of the Shannon measures of symmetry is treated. The close-packed and dispersed 2D patterns are analyzed.

Non-alcoholic fatty liver (NAFLD) is a metabolic disorder related with a chronic lipid accumulation within the hepatocytes. This disease is the most common liver disorder worldwide and it is estimated that is present in up to 25% of the world's population. However, the real prevalence of this disease and the associated disorders is unknown mainly because reliable and applicable diagnostic tools are lacking. It is known that the level of albumin, a pleiotropic protein synthetized by hepatocytes, is correlated with the correct function of the liver. The development of a complementary tool that allow the direct, sensitive, and label-free monitoring of albumin secretion in hepatocyte cell culture can provide insight about the mechanism and drugs action in NAFLD. With this aim, we have developed a simple integrated plasmonic biosensor based on gold nanogratings from periodic nanostructures present in commercial Blu-ray optical disc. This sensor allows the direct and label-free monitoring of albumin in a 2D fatty liver disease model under flow conditions using highly specific polyclonal antibody. This technology avoids both the amplification and blocking steps showing a limit of detection within pM range (≈ 0.39 ng/mL). Thanks to this technology, we identified the optimal fetal bovine serum (FBS) concentration to maximize the lipid accumulation within the cells. Moreover, we discovered that at third day from lipids challenge, the hepatocytes increased the amount of albumin secreted. These data demonstrate the ability of hepatocytes to respond to the lipid stimulation releasing more albumin. Further investigation needed to unveil the biological significance of that cell behaviour.

Layered two-dimensional (2D) graphene oxide (GO) films are integrated with micro-ring resonators (MRRs) to experimentally demonstrate enhanced nonlinear optics in the form of four-wave mixing (FWM). Both uniformly coated and patterned GO films are integrated on CMOS-compatible doped silica MRRs using a large-area, transfer-free, layer-by-layer GO coating method together with photolithography and lift-off processes, yielding precise control of the film thickness, placement, and coating length. The high Kerr nonlinearity and low loss of the GO films combined with the strong light-matter interaction within the MRRs results in a significant improvement in the FWM efficiency in the hybrid MRRs. Detailed FWM measurements are performed at different pump powers and resonant wavelengths for the uniformly coated MRRs with 1−5 layers of GO as well as the patterned devices with 10−50 layers of GO. The experimental results show good agreement with theory, achieving up to ~7.6-dB enhancement in the FWM conversion efficiency (CE) for an MRR uniformly coated with 1 layer of GO and ~10.3-dB for a patterned device with 50 layers of GO. By fitting the measured CE as a function of pump power for devices with different numbers of GO layers, we also extract the dependence of GO’s third-order nonlinearity on layer number and pump power, revealing interesting physical insights about the evolution of the layered GO films from 2D monolayers to quasi bulk-like behavior. These results confirm the high nonlinear optical performance of integrated photonic resonators incorporated with 2D layered GO films.

One in 12 babies is born with a rare genetic disease. Sadly, most cases are undetected until later age, missing time for early treatment and opportunity to prevent complications. Humanity has entered a new era where Big Data collected by governments, including 2D and 3D facial scans, are available. Many rare genetic diseases can be identified by artificial intelligence (AI) analysis of the facial photo. Phenotyping AI utilizations facilitate comprehensive and accurate genetic evaluations. AI processing of this Big Data to identify rare genetic diseases could bring unimaginable benefits to healthcare, although this would be a questionable step in terms of citizen privacy and could lead to future "Orwellian" ramifications with government abuse. Going forward, a balance must be found between protecting the privacy of citizens and the enticing use of AI for their health risks and cost savings through prevention. The unimaginable potential of AI early diagnostics from facial photos also raises various ethical and legal concerns. This paper presents concept, protentional methods and legal and other limitations within EU legal framework in contrast with potential benefits. This paper is focused on AI utilization to early diagnostic of rare genetic diseases. Shift of paradigm in the screening for rare genetic diseases in population with AI face analysis is expected to have a significant impact. The potential of AI algorithms utilizations similar to face2gene app in general population or systematically on Big governmental datasets recording facial traits changes in time can have significant impact on public health but at the same time give raise to profound concern as violation of one’s privacy.

Sheep’s milk is a significant source of nucleotides monophosphate (NMPs) but can also contain undesirable residues from veterinary drugs, posing a potential human health risk. This study introduces a novel application of 2D-LC, in heart-cutting mode, for the simultaneous determination of nucleotides and veterinary drug residues in sheep’s milk. Two-dimensional liquid chromatography (2D-LC) allows for the separation of these compounds in a single chromatographic run despite their differing physicochemical properties. The proposed method separates six veterinary drug residues and five NMPs in a single injection. The compounds were separated using a C18 reversed-phase column in the first dimension and a Primesep SB analytical column in the second dimension. The method performance was evaluated in terms of linearity range, detection and quantification limits, matrix effects, precision, and accuracy. The results demonstrated good linearity and sensitivity, with quantification limits allowing for the quantification of veterinary drugs at the maximum residue level and nucleotides at typical levels found in milk samples. The method has been successfully applied to the analysis of sheep’s milk samples acquired from local supermarkets, with recoveries within a range of 70-119 % and 82-117 % for veterinary residues and NMPs, respectively.

The present Feature Paper highlights the application of bacterial surface (S-) layer proteins as versatile components for the fabrication of biosensors. One technologically relevant feature of S‑layer proteins is their ability to self-assemble on many surfaces and interfaces to form a crystalline 2D protein lattice. The S-layer lattice on the surface of a biosensor becomes part of the interface architecture, linking the bioreceptor to the transducer interface, which may cause signal amplification. The S-layer lattice as ultrathin, highly porous structure with functional groups in a well-defined special distribution and orientation and an overall anti-fouling characteristics can significantly raise the limit in terms of variety and ease of bioreceptor immobilization, compactness of bioreceptor molecule arrangement, sensitivity, specificity, and detection limit for many types of biosensors. The present paper discusses and summarizes examples for the successful implementation of S-layer lattices on biosensor surfaces in order to give a comprehensive overview on the application potential of these bioinspired S-layer protein-based biosensors.

Cities are especially vulnerable to heavy rainfall events and the associated flooding. Urban drainage systems are not dimensioned to handle extreme heavy rainfall events, there is a need to enhance the resilience of those systems. Nature-based solutions (NBS) have the potential to retrofit existing urban drainage systems by providing, among other benefits, storage volume. This study presents an approach for including NBS with different degrees of implementation in a 1D/2D model and investigates their potential for flood mitigation in a study area in Berlin. The analyzed NBS are infiltration systems (e.g. infiltration swales) dimensioned to return periods of T = 5 and 100 years, various green roofs and tree locations (e.g. tree trenches). The NBS are represented by SWMM LID elements. The results show that overall the mitigation effect of NBS declines with increasing rainfall intensities. However, infiltration systems dimensioned to T = 100 years achieve almost three times the flood reduction compared to systems dimensioned to T = 5 years, even during extreme heavy rainfall events (100 mm), resulting in a reduced total flood volume of 15.1% to 25.8%. Overall, green roofs (excluding extensive green roofs) provide the greatest flood reduction (33.5%), while tree locations have the least effect.

The discovery of solitonlike coherent structure (SCS) in boundary layer flows is crucial for understanding turbulence origins and in particular for laminar-turbulence transition. However, the task of finding solutions for solitonlike coherent structure from the Navier-Stokes equations poses a significant challenge. In this paper, based on the author's previous work [B.H. Sun, Exact similarity solutions of unsteady laminar boundary layer flows, Preprints 2023, 2023092117], we are able to study convergent flow boundary layers, whose solution encompasses both shock wave and solitary wave solutions, and their superposition gives rise to solitary-like waves, namely solitonlike coherent structure. It is found that the solitonlike coherent structure can only be obtained by combining the Navier-Stokes equations and mass conservation, since the combined equations will have the third order derivatives respect to coordinate $x$, in other words, without the mass conservation condition, the Navier-Stokes equations does not contain solitonlike coherent structure by itself. Finally proved solitonlike coherent structure is a universal motion form of viscous fluid.

Vitamin D status may impact acute affective symptomatology and the severity of symptoms in patients with bipolar disorder (BD). Therefore, this cross-sectional study analyzed 25(OH)D, 24,25(OH)2D, and the vitamin D metabolite ratio (VMR) in BD and correlated the results with clinical affective symptomatology and functionality. The inactive precursor 25(OH)D and its principal catabolite 24,25(OH)2D were measured simultaneously with a validated liquid chromatography tandem mass-spectrometry method in 170 BD outpatients and 138 healthy controls. VMR was calculated as follows: VMR=100*(24,25(OH)2D/25(OH)D). The psychometric assessment enclosed: Beck Depression Inventory-II, Hamilton Depression Rating Scale, Young Mania Rating Scale, Global Assessment of Functioning, and number of suicide attempts. We did not find a significant difference between patients and controls in the concentrations of 25(OH)D and 24,25(OH)2D. Additionally, the VMR was comparable in both groups. The calculations for the clinical parameters showed a negative correlation between the Young Mania Rating Scale and 24,25(OH)2D (r = -.154, p = .040). Based on the small effect size and the predominantly euthymic sample, further exploitation in individuals with manic symptoms would be needed to confirm this association. In addition, long-term clinical markers, and an assessment in different phases of the disease may provide available additional insights.

In this paper, an intelligent blind guide system based on 2D LiDAR and RGB-D camera sensing is proposed, and the system is mounted on the smart cane. The intelligent guide system relies on 2D LiDAR, RGB-D camera, IMU, GPS, Jetson nano B01, STM32 and other hardware. The main advantage of the intelligent guide system proposed by us is that the distance between the smart cane and obstacles can be measured by 2D LiDAR based on Cartographer algorithm, thus achieving Simultaneous localization and mapping (SLAM). At the same time, through the improved yolov5 algorithm, pedestrians, vehicles, pedestrian crosswalks, traffic lights, warning posts, stone piers, tactile paving and other objects in front of the visually impaired can be quickly and effectively identified. Laser SLAM and improved yolov5 obstacle identification tests were carried out inside a teaching building on the campus of Hainan Normal University and on a pedestrian crossing on Longkun South Road in Haikou City, Hainan Province. The results show that the intelligent guide system developed by us can drive the wheels and omnidirectional wheels at the bottom of the smart cane, and give the smart cane a self-leading blind guide function like a "guide dog", which can effectively guide the visually impaired to avoid obstacles and reach the predetermined destination, and can quickly and effectively identify the obstacles on the way out. The laser SLAM speed of this system is 25~31FPS, which can realize the short-distance obstacle avoidance and navigation function both in indoor and outdoor envionments. The improved yolov5 helps to identify 86 types of objects, the recognition rate for pedestrian crosswalks and for vehicles are 84.6% and 71.8%, respectively; the overall recognition rate for 86 types of objects is 61.2%, and the obstacle recognition rate of the intelligent guide system is 25-26FPS.

This paper presents results of the magnetic dynamics study (the microwave power absorptions at the fixed frequencies, during magnetic field sweeping) in samples of Y3Fe5O12 single crystals in the form of plates and spheres of various sizes, at frequencies exceeding 30 GHz, in magnetic fields up to 18 kOe, at room temperature and T=77 K. It was found, that in this case, the inhomogeneity’s of the magnetic state manifested itself in the Y3Fe5O12 samples in as 2D local phase separation regions. These 2D phase separation regions formed inside domain walls representing superlattices with size’s 700 – 900 Å. Landau diamagnetism or de Haas van Alphen oscillations observed in the 2D phase separation regions at room temperature and T=77 K, depending on the shape and size of the studied plates and spheres.

Single particle analysis with cryogenic electron microscopy (cryo-EM) can determine high resolution structures of macromolecular assemblies. To reconstruct final three-dimension(3D) density map, a reliable initial model is essential and ab-initio reconstruction usually can avoid model bias. The grand challenge for ab-initio reconstruction is to alignment two-dimension(2D) low signal-to-noise ratio(SNR) of particle images with random and unknown parameters. Here we formulate a fast ab initio reconstruction method(named AlignFM) based on Fourier Mellin transform and particle-swarm intelligence optimization(PSO) algorithm. It enables simultaneous 2D alignment and 3D refinement, which can fast generate a reliable 3D map. After experiments on several real datasets. AlignFM shows high performance on fast ab initio reconstruction with a small amount of data.

Functional osseoconductive coatings based on hydroxylapatite (HAp) and applied preferentially by atmospheric plasma spraying to medical implant surfaces are a mainstay of modern implantology. During contact with the hot plasma jet, HAp particles melt incongruently and undergo complex dehydration and decomposition reactions that alter their phase composition and crystallographic symmetry, and thus, the physical and biological properties of the coatings. Surface analytical methods such as laser-Raman and nuclear magnetic resonance (NMR) spectroscopies are useful tools to assess the structural changes of HAp imposed by heat treatment during their flight along the hot plasma jet. In this contribution, the controversial information on the existence or non-existence of oxyapatite, i.e. fully dehydrated HAp as a thermodynamically stable compound is highlighted.

INT-FFT algorithm presented in this work uses an interpolation methodology to densify 3D-GPR datasets to sharpen images obtained in GPR surveys obtained in an archaeological context. It allows the reconstruction of missing data from the combined use of mathematical transforms (e.g., the Fourier and Curvelet transform) and predictive filters. This technique makes it possible to calculate the missing signal simply by meeting two requirements: the data in the frequency domain must be limited in a range of values and must be able to be represented by a distribution of Fourier coefficients (verified conditions). The INT-FFT algorithm uses an open-access routine (Suinterp, Seismic Unix) to interpolate the GPR profiles based on seismic trace interpolation. This process uses automatic event identification routines by calculating spatial derivatives to identify discontinuities in space by detecting very subtle changes in the signal, thus allowing for more efficient interpolation without artifacts or signal deterioration. We successfully tested the approach using GPR datasets from the Roman Villa of Horta da Torre (Fronteira, Portugal). The results show an increase in the geometric sharpness of the GPR reflectors and have not produced any numerical artifacts. The tests performed to apply the methodology to GPR-3D data allowed for assessing the interpolation efficiency, the level of recovery of missing data, and the level of information lost when one chooses to increase the distance between profiles in the acquisition stage of the data.

A quasi-two-dimensional (quasi-2D) modelling approach is introduced to mimic transverse mixing of an inflow into a river from one of its banks, either an industrial outfall or a tributary. The concentrations of determinands in the inflow vary greatly from those in the river, leading to very long mixing lengths in the river downstream of the inflow location. Ideally, a two-dimensional (2D) model would be used on a small scale to capture the mixing of the two flow streams. However, for large-scale applications of several hundreds of kilometres of river length, such an approach demands too many computational resources and too much computational time, especially if the application will at some point require ensemble input from climate-change scenario data. However, a one-dimensional (1D) model with variables varying in the longitudinal flow direction but averaged across the cross-sections is too simple of an approach to capture the lateral mixing between different flow streams within the river. Hence, a quasi-2D method is proposed in which a simplified 1D solver is still applied but the discretisation of the model setup can be carried out in such a way as to enable a 2D representation of the model domain. The quasi-2D model setup also allows secondary channels and side lakes in floodplains to be incorporated into the discretisation. To show proof-of-concept, the approach has been tested on a stretch of the lower Athabasca River in Canada flowing through the oil sands region between Fort McMurray and Fort MacKay. A dye tracer and suspended sediments are the constituents modelled in this test case.

Numerical modeling of sedimentation and erosion in reservoirs is an active field of reservoir research. However, simulation of bed-load transport phenomena has rarely been applied to other water bodies, in particular, the fluctuating backwater area. This is because the complex morphological processes between hydrodynamics and sediment transport are generally challenging to accurately predict. In this study, the refinement and application of a two-dimensional shallow-water and bed-load transport model to the fluctuating backwater area is described. The model employs the finite volume method of the Godunov scheme and saturated sediment transport equations. The model was verified against experimental data of a scaled physical model. It was then applied to actual reservoir operation, including reservoir storage, reservoir drawdown and continuous flood process, to predict the morphology of reservoir sedimentation and sediment transport rates and bed level changes in the fluctuating backwater area. It was found that the location and morphology of sedimentation effected by the downstream water level results in random evolution of the river bed, and bed-load sedimentation is transported from upstream to downstream with the slope of the longitudinal section of the river bed generally reduced. Moreover, the sediment is mainly deposited in the main channel and the elevation difference between the riverbank and channel decreases gradually.

This article has been studied the synthesis of a new derivative of the known alkaloid cytisine contained in the seeds of plants of Cytisus laburnum L. and Thermopsis lanceolata R.Br., both of the Lugiminosae family. The new compound has been obtained from two biologically active compounds such as isoxazole and cytisine. It has been demonstrated that the reaction led to the single-stage method under very mild conditions to obtain some 4-[(3,5-dimethyl-1,2-oxazole-4-yl)sulfonyl]amides. This class of compounds is promising to obtain the new biologically active compounds. This article has examined in detail a structure with using the 1H and 13C NMR and two-dimensional NMR spectroscopy of COSY (1H-1H), HMQC (1H-13C) and NMVS (1H-13C). As a result, the homo- and heteronuclear spin-spin couplings should be established. The X-ray diffraction analysis has determined the spatial structure of a new derivative based on cytisine alkaloid. Thus, its hemorheological activity has been studied.

Abstract—The static and fatigue analysis of plates with holes, made of 2D woven roving composites, is conducted. The parametrization of convex holes is proposed. Experimental results of specimens without holes and with different shapes of notches are discussed. The fatigue behaviour is considered with the use of the low cycle fatigue method. The analysis is supplemented by the numerical finite element modeling. The present work is an extension of the results discussed in the literature. The finite element modeling of plates with holes is presented in details in Ref [1-3] including also the problems of the accuracy. The experimental results and the form of specimens are shown in Ref [4]. Two parametrical description of static and fatigue behaviour of plates with holes characterizes the goal and the novelty of the paper. The fuzzy approach is employed to reduce the number of experimental data [5].

Powerful emitters of the ultraviolet C (UVC) light in the wavelength range of 230-280nm are necessary for the development of effective and safe optical disinfection technologies, high-sensitive optical spectroscopy and non-line-of-sight optical communication. This review considers such UVC-emitters with electron-beam pumping of heterostructures with quantum wells in the (Al,Ga)N material system. The important advantages of these emitters include the absence of the critical problem of p-type doping and the possibility of achieving record (up to several tens of watts for peak values) output optical power values in the UVC range. The review consistently considers about a decade of world experience in the implementation of various UV emitters with various types of thermionic, field-emission, and plasma-cathode electron guns (sources) used to excite various designs of active (light-emitting) regions in heterostructures with quantum wells AlxGa1-xN/AlyGa1-yN (x = 0 − 0.5, y = 0.6 − 1) fabricated either by metal-organic chemical vapor deposition or by plasma-activated molecular beam epitaxy. Special attention is paid to the production of heterostructures with multiple quantum wells/two-dimensional(2D) quantum disks GaN/AlN with a monolayer (1ML ~ 0.25nm) thickness, which ensures a high internal quantum efficiency of radiative recombination in the UVC range, low elastic stresses in heterostructures, and a high output UVC-optical powers.

Vitamin D plays an essential role in embryogenesis and the course of intra- and postnatal periods and is crucially involved in the functioning of the mother-placenta-fetus system. Low quantity of Vitamin D during pregnancy can lead to the elevated risk for preeclampsia occurence. Despite the numerous studies on the association of Vitamin D deficiency and preeclampsia development, the current research on this theme is contradictory. In this review we summarize and analyze study data on the effects of vitamin D deficiency and supplementation on pregnancy, labor, fetal and neonatal outcomes.

An overview of the chemical compounds forming the rare smectic T phases is cited with references to the historical context. Thermodynamics (transition temperatures, enthalpies) along with the factors (stereochemical constraints, electrostatic interactions, aliphatic chain stacking, intermolecular forces) contributing to the adoption of tetragonal scaffolds are also discussed. Characteristic optical microscopy textures and x-rays diffraction patterns are presented. In parallel, a comparison of the geometrical parameters such as distances between atoms, molecular areas, volumes, and lattice parameters with the closest two-dimensional and three-dimensional organizations, is performed.

The emergence of new methodologies and tools for digitizing objects belonging to the Cultural Heritage (CH) changed the paradigms adopted so far. Traditionally, the process to acquire artifacts required specialized and often costly equipment tailored to specific purposes. However, the development of more generalized, adaptable, and affordable tools led to novel approaches. This manuscript provides a glimpse into the evolving landscape of custom-made tools for digital documentation, both hardware and software, and their transformative impact on the digitization techniques, built to meet requirements of specific case studies, including ancient drawings, manuscripts, paintings, and museum objects. The advent of self-built instruments has revolutionized the way professionals work today, by leveraging a new generation of low-cost, adaptable gears, leading to unprecedented flexibility and efficiency, while facilitating the capture of high-quality digital representations of objects with minimal damage and preserving their integrity. The outcomes of instruments and tools specifically produced for the contexts described in this paper highlight their potential for promoting interdisciplinary collaboration, facilitating scholarly research, enhancing conservation efforts, and fostering cultural exchange. Ultimately, this research contributes to illustrate how custom software, in combination with recent devices such as smartphones and 3D printers, underscores the importance of adopting these innovative approaches to generate an ecosystem of tools and methods able to preserve, document, and promote the richness of our collective past for future generations.

This contribution is an attempt to reconstruct the favorable atmosphere that prevailed in Lau-sanne in 1986-87 and provided the backdrop of our invention of two-dimensional ion cyclotron resonance mass spectroscopy (2D ICR-MS). To avoid a self-centered histoire d’ancien combattant, we shall try to emphasize the context, the contributions of key players within our nascent research group at UNIL and the established group of Tino Gäumann at EPFL, the role of external speakers, and the open atmosphere that was not yet polluted by bibliometrics, obsessive concern with im-pact factors, and top-down management of research. We shall also explain why the idea of 2D ICR-MS has been ignored for many years and still has a limited impact: different scientific cul-tures in the ICR and NMR communities, different concerns with fundamental vs. applied research, different status of theory and numerical simulations, different levels of commitment of instrument manufacturers, not to mention many theoretical problems that appear to be at least as challenging in ICR as in NMR.

The compound, C27H23N3 (1), crystallizes in the triclinic system of the P-1 space group. The unit cell comprises a dimer of 1, in which the monomers are linked by two complementary hydrogen bonds between N1 and H1-C1 of another molecule. The dimers form chains along the a-axis through intermolecular interactions between the N2 acceptor atoms and C17 donors from molecules in the nearest neighbouring dimer. These interactions form extended sheets of the dimers of 1, along the ab plane. The quinolinylmeth-2-yl groups of 1 lie in almost orthogonal planes and their N1/2(q) donor atoms being away from the apical amino N3 atom.

Glial cells provide physical and chemical support and protection for neurons. Secreted neurotrophic factors, scaffolds and vesicles regulate in addition to normal homeostasis, repair following neural tissue injury or degeneration. We previously demonstrated that human CNS glia have revascularization capacity by inducing endothelial cell sprouting and microchanneling driven by glial cell secreted components. The clinical potential of using secreted factors and vesicles generated by glial cells in conditioned media was shown by their re-normalization of pathological blood vessels and 3D tissue wound healing and remodeling capacity. To identify secreted components of glial cells and how CNS and PNS glial cells differentially regulate neural tissue homeostasis, disease and injury response, we developed a novel culture method for various types of glial cells that allow for isolating and characterizing secreted glial components, free of animal factors and contaminants normally associated with serum-based culture conditions. Our culture method will enable to identify secreted components using ultrasensitive RNA, glycoconjugate and protein analysis technologies. The characterization of glial secreted factors involved microchanneling may help in development of new clinical therapies for glial and neural cells or axons to migrate and reform connections.

Pieron's and Chocholle’s seminal psychophysical work predicts that human response time to information relative to visual contrast and/or sound frequency decreases when contrast intensity or sound frequency increases. The goal of this study is to bring to the fore the ability of individuals to use visual contrast intensity and sound frequency in combination for faster perceptual decisions of relative depth (“nearer”) in planar (2D) object configurations on the basis of physical variations in luminance contrast. Computer controlled images with two abstract patterns of varying contrast intensity, one on the left and one on the right, preceded or not by a pure tone of varying frequency, were shown to healthy young humans in controlled experimental sequences. Their task (two-alternative forced-choice) was to decide as quickly as possible which of two patterns, the left or the right one, in a given image appeared to “stand out as if it were nearer” in terms of apparent (subjective) visual depth. The results show that the combinations of varying relative visual contrast with sounds of varying frequency exploited here produced an additive effect on choice response times in terms of facilitation, where a stronger visual contrast combined with a higher sound frequency produced shorter forced-choice response times. This new effect is predicted by cross-modal audio-visual probability summation.

Ice formation on aircraft surfaces poses significant safety risks, and current detection systems often struggle to provide accurate, real-time predictions. This paper presents the development and comprehensive evaluation of a smart ice control system using a suite of machine learning models. The system utilizes various sensors to detect temperature anomalies and signal potential ice formation. We trained and tested supervised learning models (Logistic Regression, Support Vector Machine, Random Forest), unsupervised learning models (K-means clustering), and neural networks (Multi-Layer Perceptron) to predict and identify ice formation patterns. Experimental results demonstrate that our smart system, driven by machine learning, accurately predicts ice formation in real-time, optimizes de-icing processes, and enhances safety while reducing power consumption. This solution holds the potential for improving ice detection accuracy in aviation and other critical industries requiring robust predictive maintenance.

With the advent of COVID19, the attitude of health authorities around the world, led mainly by the West, demanded a level of proof as evidence for cheap, non-patented remedies while promoting expensive, patented, and untested remedies by using emergency use authorization and special provisions afforded to the status of a pandemic emergency. Western science has neither a tested nor a valid historical basis of a logical system that informs to authenticate scientific practices. Here we use a logical heuristic derived from ancient Buddhist logic, which is consistent with the conduct of modern science. We applied the heuristic to show that enough evidence was available for using cost-effective early therapies such as vitamin D supplementation as a public health measure during the first half of 2020. Strong supporting evidence has since accumulated. Apart from political and financial decisions incompatible with science and other conflicts of interest, a critical barrier to evaluating and approving early therapies appears to be the fallacy that the randomized controlled trial (RCT) is the superior proof method in medical hypotheses, including those for nutrients. Logically, no reason exists why properly designed retrospective, ecological, and naturalistic studies with adequate sample sizes and applied appropriate statistical methods would not be as valid as RCTs, especially when elucidating a causative factor instead of treatment. That assertion is particularly true for nutrient deficiencies, interventions, and other cost-effective therapies. Leading health authorities’ failure or refusal to consider other study types (because of either poor logic or vested interest) probably contributed to the spread of misinformation, symptomatic disease, complications, and deaths from COVID19. Partial immunity derived from vaccines and the later development of more contagious variants—and thus a sense of acceptance that SARS-CoV-2 had progressed from a pandemic to an endemic—shows the hollowness of the initial promotions and mandates of vaccines as a cure. Adequate knowledge was available in 2020 to advise that SARS-CoV-2 will continue to mutate, with variants emerging a few times per year, making the vaccine less effective. Emerging evidence confirms that natural immunity better protects against new variants than vaccination against the spike protein. Had vitamin D been adopted as part of the public health measure through a broader supplementation program in 2020 or even today (through sun exposure or as a prophylactic or adjunct therapy early on), the viral spread and symptomatic disease may have been suppressed, with minimal lockdowns and quarantine, and economic harm. The pandemic could have been halted with a significantly reduced need for hospitalization, complications, and deaths, potentially saving millions of lives.

Solving Linear equations with large number of variable contains many computations to be performed either iteratively or recursively. Thus it consumes more time when implemented in a sequential manner. There are many ways to solve the linear equations such as Gaussian elimination, Cholesky factorization, LU factorization, QR factorization. But even these methods when implemented on a sequential platform yield slower results as compared to a parallel platform where the time consumption is reduced considerably due to concurrent execution of instructions. The above mentioned linear equation solving methods can be implemented on the parallel platform using the direct approaches such as pipelining or 1D and 2D Partitioning approach. Vedic mathematics is a very ancient approach for solving mathematical problems. These Vedic mathematical approaches are well known for quicker and faster computation of mathematical problems. Vedic Mathematics provides a very different outlook towards the approach of solving linear Equation on parallel platform. It could be considered as a better approach for reducing space consumption and minimizing the number of algebraic operations involved in solving linear equation. In future Vedic Mathematics might serve as a viable solution for solving linear equation on parallel platform.

This study presents a method for the rapid and accurate generation of two-dimensional (2D) orthomosaic maps using selected image data collected by drone-captured video. The focus is on developing a real-time method capable of creating maps more quickly than image selection. The scale-invariant feature transform (SIFT) algorithm is applied to drone images to extract features in various scale regions. For feature point matching, a matching method based on the fast library for approximate nearest neighbors (FLANN) was adopted. A comparison of the computational speed of the FLANN with that of the k-nearest neighbors (KNN) and brute force matcher during the matching process revealed FLANN's superior capability for real-time data processing. The random sample consensus (RANSAC) algorithm was employed to enhance the accuracy of the matching by removing outliers, effectively identifying and eliminating mismatches, and reinforcing the reliability of feature point matching. The combination of SIFT, FLANN, and RANSAC algorithms demonstrates the capacity to process drone-captured image data in real time, facilitating the generation of precise 2D orthomosaic maps. The proposed method was assessed and validated using imagery obtained as the drone executed curvilinear and straight flight paths, confirming its accuracy and operational efficiency concurrently with the image capture process.

BackgroundThe present review summarizes the state-of-the-art of in silico methods and techniques that are the most useful in drug discovery, their relationship with data science, as well as the successful application of data science, machine learning (ML) and artificial intelligence (AI) applications. A meta-analysis of the various technologies available is furthermore proposed as a guideline for the non-expert, reader relative to the several subject areas is also discussed in this article. The scope of this meta-analysis is to rank the enlisted technologies by their field of applications and to depict the latter according to knowledge accessibility, from students to experts.Method The search strategy utilized for this review first produced a general collection of 900 papers without duplications, which were subsequently streamlined and divided into two independent collections: the top 300 most-cited papers of all time (since 2000) and the papers with the highest interest for a systematic review analysis (high-impact exciting papers). Results In Part 1, we discuss the most cited and quality 97 articles in these top 300 papers most relevant to the field of in silico drug discovery. The different disciplines are listed according to their industrial and economic incurred to society, independently from the “metric” results of how many new drug approvals (NDAs) each discipline has generated to date.ConclusionBig data, the ensemble of known items stored in publicly available databases, has improved our understanding of the many fates of a potential drug candidate during its development and even after its commercialization. Moreover, the combination of new screening techniques and “omics” with old drugs has led to a new paradigm in which the unknown knowledge of any biological molecule and its cellular structure, now plays an important role as a target for a series of yet-to-be-developed drugs: the chemical space. Furthermore, leveraging big data, data science, ML, and AI can revolutionize drug discovery by swiftly analyzing massive datasets, predicting efficacy and safety profiles, streamlining development, cutting costs, and boosting success rates for new drugs. AI also speeds up the search for promising drug candidates, advancing innovative therapies.

In a previous companion study, satellite data were used to describe peculiar characteristics of ocean surface wave fields, generated by two extra-tropical cyclones (ETCs) rapidly propagating in the North Atlantic. Based on a 2D parametric wave model, further details are now provided to analyse and interpret the spatio-temporal evolution of ETC very intense generated waves. Significant wave height and wavelength values are shown to reach extreme values, 18 m and 500 m, respectively. Resulting energetic swell systems waves then radiate in the whole eastern part of North Atlantic, and more particularly in the Norwegian sea region. Moving to higher latitudes, wind forcing characteristics of ETCs evolve, with the shape of the wind field changing from quasi-cyclonic to "air jets/Icelandic lows". In this paper, the resulting swell generation and propagation, after the deformation of an individual ETC, are studied, as well. Confirmed with comparisons with multi-satellite observations, the application of the parametric-2D wave-ray model is demonstrated to provide robust and highly detailed information on wave generation under very complex wind regime changes.

This paper introduces an innovative nanotechnology-based approach that provides a pathway to enhance the energy release efficiency of nanoenergetic materials (nEMs) by harnessing self-synchronized collective atomic vibrations and phonon wave resonance within the transition domains between nanocomponents, without altering the material composition. The key innovation involves incorporating finely-tuned 2D-ordered linear-chain carbon-based multilayer nano-enhanced interfaces as programmable nanodevices into the transition domains using advanced multistage processing and assembly techniques. These programmable nanodevices enable precise control over self-synchronized collective atomic vibrations and phonon wave propagation, leading to synergistic effects. To activate and optimize these effects, a combination of various methods is employed, including energy-driven initiation of allotropic phase transformations, surface acoustic wave-assisted micro/nano-manipulation, heteroatom doping, directed self-assembly using high-frequency electromagnetic fields, and data-driven inverse design approaches. By leveraging a data-driven inverse design strategy and uncovering hidden structure-property relationships, we maximize energy release efficiency using the carbon nano-materials genome approach derived from multifactorial neural network-based predictive models. This approach not only unlocks new functionalities in nEMs but also improves environmental performance and safety levels. By pioneering transformative pathways for nEMs through harnessing phonon wave resonance in low-dimensional nanocarbon transition interfaces, this research brings significant advancements in the field.

Power sources that can consistently deliver high levels of energy over extended periods are crucial for various space applications. Among the many methods of energy generation, direct heat-to-electricity conversion without intermediate steps or moving components shows particular promise but also presents significant challenges. The aim of this research is to address these challenges by enhancing the energy efficiency of thermionic conversion, which transforms thermal energy into electrical energy, through the development and utilization of a novel class of emission nanomaterials known as multilayer carbyne-enriched 3D-shaped nano-interfaces. By manipulating the topological, physicochemical, and functional characteristics of these interfaces, we seek to optimize their thermionic conversion capabilities. Building on the recent discovery of collective atomic vibrations called phonon waves within transition domains of multilayer nanostructures, we have devised a new approach to enhance the efficiency of thermionic energy converters. This involves unlocking the predictive functionality of 2D-ordered linear-chain carbon-based multilayer emitters through the excitation and fine-tuning of collective atomic vibrations and nanoarchitecture. To achieve this, we propose employing a combination of techniques that leverage interface effects, enable phonon wave propagation, facilitate energy exchange, and capitalize on synergistic effects offered by the multilayer nano-enhanced interfaces. The resulting devices for thermionic energy conversion have the potential to significantly surpass the efficiency of existing plasma thermionic converters by several orders of magnitude. Moreover, these electricity-generating sources based on thermionic conversion represent fundamental options for the advancement of Lunar and Martian research missions, opening up possibilities for sustainable energy production in extraterrestrial environments.

SARS-CoV-2 Omicron variant spike RBD epitopes in complex with spike (S) -protein D614G mutations now predominate globally and increase infectivity by assembling more functional S proteins into the virion. On average, homeopathic medicine contains less than one molecule per dose on average. Single variable SphericalHarmonicY, LaguerreL, WhittakerM, SphericalBesselJ, LegendreP, LegendreQ, LaguerreL, ChebyshevT, and Hypergeometric1F1 Functions pFqarise in connection with the power series solution of the Schrodinger equation or in the summation of perturbation expansions in quantum mechanics. A quantum interpretation of the homeopathic method is presented here through a novel algebraic topology approach to supersymmetry and symmetry breaking in quantum fields and quantum gravity theory with the aim of developing a wide range of physical-based drug design applications in a Small Molecule Quantized Water Memory Network suggesting that the Hidden Black Hole Paradox of Information Loss might be solved under suitable conditions.