Similar Description Research Articles

Casimir-Like Effect from Thermal Field Fluctuations

Landau-Ginzburg ϕ4 field theory is usually applied to systems for understanding continuous phase transitions at critical points. Here, we analyse thermal field using similar free energy description in statistical field theory perspective, and study fluctuations in such a field with particular focus on realizing thermal Casimir effect. Initially, we qualitatively describe emergence of Casimir-like effect using mean-field approximation and further derive it using coarse-graining of perturbative renormalization procedure in the vicinity of Gaussian-fixed point. These results may lead to further the understanding of Casimir effect from scalar fields without employing the concept of zero-point energy in a cosmological sense.

Semantic Features of English Artionyms (Based on British and American Painting of the XX-XXI c.)

The article addresses the semantic features of English artionyms represented by British and American painting of the XX-XXI c. There is no generally accepted term for a work of art in onomastics at the moment, but more scientists use the concept of “artionym” as a key term. Within the framework of this study, British and American artionyms are subjected to comparative analysis in order to describe the semantic features of the units studied. The description of the semantic similarities and differences of the units in question are subsequently justified by the findings of semantic analyses.

Opinions of Primary School Teachers about Mathematics Teaching During the Covid-19 Pandemic Period

This study was conducted to reveal the aspect of distance education studies on teaching of mathematics with the evaluation by class teachers during the Covid-19 Pandemic period. 24 primary school teachers from Onikisubat district of Kahramanmaras province have participated in the research. The semi-structured interview form developed in line with the expert opinions was applied to the primary school teachers separately. This study was required in order to evaluate the events experienced in the distance education process due to the coronavirus pandemic and the effects of the pandemic on the field of education in the direction of the opinions of the class teachers. Qualitative research was carried out to interpret any situation from a different perspective in the study, and a case study has been conducted to reach the depth of the situation. As a data collection tool, a semi-structured interview form was prepared with the approval of expert opinions. After the data were brought together, content analysis was carried out by giving similar descriptions and describing them in a way that the reader could comprehend. The sample of the study consisted of teachers who personally experienced the process in the nearby environment, which consists of easily accessible situation sampling in order to accelerate the study. It is thought that it will be important to work properly execution of the processes that may occur in such times by determining the causes and consequences of the situations experienced in the field of education due to reasons such as the suspension of face-to-face education and the cessation of schools after the pandemic in the world. As a result of the research, suggestions will be made for the studies that can be done about teaching mathematics in distance education.

Ars historica sive de historiae et historices natura historiaque scribende praeceptis commentatio

Continuation of the translation of the book by the Dutch theologian, historian and philologist G. J. Vossii "The Art of Historians", started in No. 23–31 Vox. Chapter 15 deals with one of the main problems of historians: the relationship between the sequence of individual events and the truth of the overall picture. The author shows that the construction of events in one logical series on the basis of a simple linguistic sequence does not mean that they are similar in other spaces. Often outwardly similar descriptions of "glorious deeds" belong to different eras that are not directly comparable. This gives rise to the concept of a "picture of the world".

Multiphysics simulation of single pulse laser powder bed fusion: comparison of front capturing and front tracking methods

PurposeDuring thermal laser processes, heat transfer and fluid flow in the melt pool are primary driven by complex physical phenomena that take place at liquid/vapor interface. Hence, the choice and setting of front description methods must be done carefully. Therefore, the purpose of this paper is to investigate to what extent front description methods may bias physical representativeness of numerical models of laser powder bed fusion (LPBF) process at melt pool scale.Design/methodology/approachTwo multiphysical LPBF models are confronted: a Level-Set (LS) front capturing model based on a C++ code and a front tracking model, developed with COMSOL Multiphysics® and based on Arbitrary Lagrangian–Eulerian (ALE) method. To do so, two minimal test cases of increasing complexity are defined. They are simplified to the largest degree, but they integrate multiphysics phenomena that are still relevant to LPBF process.FindingsLS and ALE methods provide very similar descriptions of thermo-hydrodynamic phenomena that occur during LPBF, providing LS interface thickness is correctly calibrated and laser heat source is implemented with a modified continuum surface force formulation. With these calibrations, thermal predictions are identical. However, the velocity field in the LS model is systematically underestimated compared to the ALE approach, but the consequences on the predicted melt pool dimensions are minor.Originality/valueThis study fulfils the need for comprehensive methodology bases for modeling and calibrating multiphysical models of LPBF at melt pool scale. This paper also provides with reference data that may be used by any researcher willing to verify their own numerical method.

Label projection online hashing for balanced similarity

Since online hashing has the advantages of low storage and fast calculation ,it attracts the attention of many scholars. However, the learning of new data streams separates the similarity between new data and existing data in many online hashing methods, which leads to poor retrieval performance. In addition, the similarity measure ignores the expression of different similarity. In this paper, we propose a novel supervised method, namely Label Projection Online Hashing for Balanced Similarity (LPOH). Compared with existing online hashing methods, LPOH aims to solve the problem of the effective establishment of the projection between the label vector and the binary code, and the successful realization of description of different similarity between the same labeled data. Specifically, LPOH overcomes the problem of similarity deviation caused by data imbalance via establishing a mapping matrix to derive a relationship between the data label vector and the binary code. Furthermore, the error between the binary code and the hash function concerning data streams is described. Extensive experiments on widely-used three benchmark datasets demonstrate that LPOH outperforms the state-of-the-art online hashing methods.

Empirical aspects of an emerging agricultural pesticide contaminant retention on two sub-Saharan soils

Soils are highly heterogeneous dynamic mixtures with unique properties. The general properties of each type of soil affect its contaminants sorption; thus, obtaining sorption information about any regional soil may require actual sorption experiments. Hence, two soil types (alfisol–AFL and oxisol–OXL) were sampled and used for ivermectin sorption in order to obtain data on sub-Saharan soils for this new emerging contaminant from agriculture. Environmental parameters such as sorption time, ambient solution pH, ivermectin concentration, temperature and desorption were studied, while data were evaluated using two adsorption isotherm models, four kinetic models and the thermodynamics. The soils were neutral, typical of neutral West African soils and having slightly acidic pHpzc with similar particle size description and medium-to-low CECeff and SOM. Ivermectin sorption equilibrium was fast at 180 min for both soils. The rate constant k for sorption on AFL soil was slightly faster than for the OXL. Solution pH has some degree of influence on the sorption process which exhibited two sorption optimum peaks; one around pH 3 and the other around pH 9.5. Ivermectin sorption was concentration dependent; there was higher sorption as initial concentration increased, while sorption increased significantly with ambient temperature from 19.5 to 29.5 °C (≈55%) but there was slight reduction on further temperature increase to 39.5 °C compared to sorption at 29.5 °C (≤1%). The magnitude of the estimated energetics signaled a non-spontaneous and increasingly random process, with small size of the ΔH° values which were compatible with low energy interactive sorption forces and the overall process was exothermic. The ivermectin sorption process was controlled by external mass transfer (which was concentration dependent), with approximately 81.6% of sorption occurring on the soil surfaces, while 18.4% was within the pores or soil phases. The better fits of the sorption data to both the Freundlich adsorption isotherm model and the homogeneous fractal pseudo-second order model are complementary, and confirms that ivermectin sorption process on both soils involves complex interactions on heterogeneous sorption surfaces which include electrostatic interactions, multi–layer adsorption probably facilitated by π-π interactions between surface sorbed ivermectin molecules and those in solution, possibly trapping of ivermectin molecules within the soil pores, and various van der Waals attractive forces. Though ivermectin was rapidly dissipated on these soils, the hysteresis was high; irrespective of the soil, the amount of ivermectin leached per soil was small, in fact less than 6% of the initial amount sorbed. Our study has vital implications in predicting the fate of specific contaminants in the environment.

Krew i brud. Uwagi na temat estetyki oraz poetyki opisów śmierci w cyklu o wiedźminie Andrzeja Sapkowskiego

Andrzej Sapkowski’s The Witcher series is the first Polish fantasy series that has gained so much popularity. When Sapkowski published his first story — The Witcher — in 1986, fantasy literature wasn’t well-known in Poland. In fact Polish readers, who were interested in fantasy, would mainly know John R.R. Tolkien’s novels like The Hobbit, Or Thete and Back Again, The Lord of the Rings or Silmarillion, all belonging to mythopoeic fantasy. Sapkowski’s story was vastly different from them, because the Polish author referred to sword and sorcery literature, which at that time was little-known in Poland. He created an interesting protagonist and a dark, vicious world, full of violence and graphic descriptions of death.
 It appears that one of the main factors having an influence on the huge popularity of the series, may be the attempt to shock the reader by using a unique construction of the presented world, which contains a lot of graphic violent imagery. This article presents those methods of description of death and violence in The Witcher series to present why they are so interesting to the readers and what makes them stand out from the rest of similar descriptions in Polish fantasy literature.
 The analysis is divided into several parts. The first part presents the influence of Sapkowski’s debut story on Polish fantasy literature. The second part contains the analysis of the dynamics of descriptions of death. The third and the fourth focus on showing the individualisation of death in The Witcher series and on detail exposure. The next part presents the narrative treatments used by Sapkowski to increase the impact of the literary images of death, for example changes of a narrative perspective. The last part of the article presents naturalistic elements of the descriptions and explains what functions they perform in the text.

Intersection numbers on {overline{M}}_{g,n} and BKP hierarchy

In their recent inspiring paper, Mironov and Morozov claim a surprisingly simple expansion formula for the Kontsevich-Witten tau-function in terms of the Schur Q-functions. Here we provide a similar description for the Brézin-Gross-Witten tau-function. Moreover, we identify both tau-functions of the KdV hierarchy, which describe intersection numbers on the moduli spaces of punctured Riemann surfaces, with the hypergeometric solutions of the BKP hierarchy.

DAMA: a method for computing multiple alignments of protein structures using local structure descriptors.

MotivationThe well-known fact that protein structures are more conserved than their sequences forms the basis of several areas of computational structural biology. Methods based on the structure analysis provide more complete information on residue conservation in evolutionary processes. This is crucial for the determination of evolutionary relationships between proteins and for the identification of recurrent structural patterns present in biomolecules involved in similar functions. However, algorithmic structural alignment is much more difficult than multiple sequence alignment. This study is devoted to the development and applications of DAMA—a novel effective environment capable to compute and analyze multiple structure alignments.ResultsDAMA is based on local structural similarities, using local 3D structure descriptors and thus accounts for nearest-neighbor molecular environments of aligned residues. It is constrained neither by protein topology nor by its global structure. DAMA is an extension of our previous study (DEDAL) which demonstrated the applicability of local descriptors to pairwise alignment problems. Since the multiple alignment problem is NP-complete, an effective heuristic approach has been developed without imposing any artificial constraints. The alignment algorithm searches for the largest, consistent ensemble of similar descriptors. The new method is capable to capture most of the biologically significant similarities present in canonical test sets and is discriminatory enough to prevent the emergence of larger, but meaningless, solutions. Tests performed on the test sets, including protein kinases, demonstrate DAMA’s capability of identifying equivalent residues, which should be very useful in discovering the biological nature of proteins similarity. Performance profiles show the advantage of DAMA over other methods, in particular when using a strict similarity measure QC, which is the ratio of correctly aligned columns, and when applying the methods to more difficult cases.Availability and implementationDAMA is available online at http://dworkowa.imdik.pan.pl/EP/DAMA. Linux binaries of the software are available upon request.Supplementary information Supplementary data are available at Bioinformatics online.

Wiener polarity and similar topological descriptors of some product graphs

AbstractThe leap Zagreb and Wiener polarity indices are computed from the information of second and third distances in a graph. Like many other topological indices defined in the literature, these indices are important for their applications in quantitative structure‐property relationship studies. In this paper, we compute these indices of a graph product known as subdivision vertex‐edge join of three graphs, which is also known as SVE‐join of graphs. We also compute the leap Zagreb coindices of these graphs.

Modeling the Optical Properties of a Polyvinyl Alcohol-Based Composite Using a Particle Swarm Optimized Support Vector Regression Algorithm.

We developed particle swarm optimization-based support vector regression (PSVR) and ordinary linear regression (OLR) models for estimating the refractive index (n) and energy gap (E) of a polyvinyl alcohol composite. The n-PSVR model, which can estimate the refractive index of a polyvinyl alcohol composite using the energy gap as a descriptor, performed better than the n-OLR model in terms of root mean square error (RMSE) and mean absolute error (MAE) metrics. The E-PSVR model, which can predict the energy gap of a polyvinyl alcohol composite using its refractive index descriptor, outperformed the E-OLR model, which uses similar descriptor based on several performance measuring metrics. The n-PSVR and E-PSVR models were used to investigate the influences of sodium-based dysprosium oxide and benzoxazinone derivatives on the energy gaps of a polyvinyl alcohol polymer composite. The results agreed well with the measured values. The models had low mean absolute percentage errors after validation with external data. The precision demonstrated by these predictive models will enhance the tailoring of the optical properties of polyvinyl alcohol composites for the desired applications. Costs and experimental difficulties will be reduced.

Search for Novel Lead Inhibitors of Yeast Cytochrome bc1, from Drugbank and COCONUT.

In this work we introduce a novel filtering and molecular modeling pipeline based on a fingerprint and descriptor similarity procedure, coupled with molecular docking and molecular dynamics (MD), to select potential novel quoinone outside inhibitors (QoI) of cytochrome bc1 with the aim of determining the same or different chromophores to usual. The study was carried out using the yeast cytochrome bc1 complex with its docked ligand (stigmatellin), using all the fungicides from FRAC code C3 mode of action, 8617 Drugbank compounds and 401,624 COCONUT compounds. The introduced drug repurposing pipeline consists of compound similarity with C3 fungicides and molecular docking (MD) simulations with final QM/MM binding energy determination, while aiming for potential novel chromophores and perserving at least an amide (R1HN(C=O)R2) or ester functional group of almost all up to date C3 fungicides. 3D descriptors used for a similarity test were based on the 280 most stable Padel descriptors. Hit compounds that passed fingerprint and 3D descriptor similarity condition and had either an amide or an ester group were submitted to docking where they further had to satisfy both Chemscore fitness and specific conformation constraints. This rigorous selection resulted in a very limited number of candidates that were forwarded to MD simulations and QM/MM binding affinity estimations by the ORCA DFT program. In this final step, stringent criteria based on (a) sufficiently high frequency of H-bonds; (b) high interaction energy between protein and ligand through the whole MD trajectory; and (c) high enough QM/MM binding energy scores were applied to further filter candidate inhibitors. This elaborate search pipeline led finaly to four Drugbank synthetic lead compounds (DrugBank) and seven natural (COCONUT database) lead compounds—tentative new inhibitors of cytochrome bc1. These eleven lead compounds were additionally validated through a comparison of MM/PBSA free binding energy for new leads against those obtatined for 19 QoIs.

Interacting holes in Si and Ge double quantum dots: From a multiband approach to an effective-spin picture

The states of two electrons in tunnel-coupled semiconductor quantum dots can be effectively described in terms of a two-spin Hamiltonian with an isotropic Heisenberg interaction. A similar description needs to be generalized in the case of holes due to their multiband character and spin-orbit coupling, which mixes orbital and spin degrees of freedom and splits $j=3/2$ and $j=1/2$ multiplets. Here we investigate two-hole states in prototypical coupled Si and Ge quantum dots via different theoretical approaches. Multiband $\mathbit{k}\ifmmode\cdot\else\textperiodcentered\fi{}\mathbit{p}$ and configuration-interaction calculations are combined with entanglement measures in order to thoroughly characterize the two-hole states in terms of band mixing and justify the introduction of an effective spin representation, which we analytically derive a from generalized Hubbard model. We find that, in the weak interdot regime, the ground state and first excited multiplet of the two-hole system display---unlike their electronic counterparts---a high degree of $J$ mixing, even in the limit of purely heavy-hole states. The light-hole component additionally induces $M$ mixing and a weak coupling between spinors characterized by different permutational symmetries.

Comparative Assessment of NMR Probes for the Experimental Description of Protein Folding Pathways with High-Pressure NMR.

Simple SummaryDuring the last decade, high-pressure multidimensional NMR has emerged as a very powerful tool to describe the folding landscapes of proteins. This is (i) because pressure is a gentle perturbation, the effects of which originate from local properties of the folded state, contrary to chemical or thermal denaturation, and (ii) because multidimensional NMR intrinsically provides multiple probes strategically scattered on the three-dimensional structure of the protein, allowing a quasi-atomic resolution to describe the folding pathway. Residue-specific information obtained from these probes can be used to describe protein folding pathways through the calculation of NMR-derived fractional probabilities of contact at increasing pressure. Here, we used this strategy to evaluate and compare the results obtained from NH amide, CαHα, and CH3 groups when used as NMR probes to explore the folding pathway of the model protein ∆+PHS Staphylococcal Nuclease. Multidimensional NMR intrinsically provides multiple probes that can be used for deciphering the folding pathways of proteins: NH amide and CαHα groups are strategically located on the backbone of the protein, while CH3 groups, on the side-chain of methylated residues, are involved in important stabilizing interactions in the hydrophobic core. Combined with high hydrostatic pressure, these observables provide a powerful tool to explore the conformational landscapes of proteins. In the present study, we made a comparative assessment of the NH, CαHα, and CH3 groups for analyzing the unfolding pathway of ∆+PHS Staphylococcal Nuclease. These probes yield a similar description of the folding pathway, with virtually identical thermodynamic parameters for the unfolding reaction, despite some notable differences. Thus, if partial unfolding begins at identical pressure for these observables (especially in the case of backbone probes) and concerns similar regions of the molecule, the residues involved in contact losses are not necessarily the same. In addition, an unexpected slight shift toward higher pressure was observed in the sequence of the scenario of unfolding with CαHα when compared to amide groups.

Confirmation by molecular docking of the pharmacophore defined as 4D-QSAR using the MCET method for the 2-hydroxydiarylamide derivatives

For the 2-hydroxydiarylamide derivative series that inhibits serine proteases by mediating various events related to the basic processes of tumor invasion and metastasis in cancer, the pharmacophore responsible for the activity was estimated by the Molecular Conformer Electron Topological (MCET) method. The atoms in the common core structure of the molecules and template are aligned so that the remaining oriented atoms superimposition with the maximum number. In the 4D-Quantitative Structure Activity Relationship analysis, it is selected and used to represent the molecule that can interact best by the receptor among all conformers. Despite the unknown structure of the receptor, arranging molecules on the 3D coordinate system ensures that the ligand-receptor interaction is in the same direction and in the same manner. Pha, which is a subset, was estimated by accepting / rejection step by applying Genetic Algorithm steps to the clusters formed by the atomic clusters in the 3D coordinate system. The model proposed in the training set was verified in the external test set and the electronic identifying values of the Pha atoms in both sets were considered. The model was developed by splitting the molecules into training and external test sets according to similarities of both activities and descriptors. With Leave One Out-Cross Validation the model proposed according to 33 molecules in the training set (q2 = 0.998) was validated by using 8 molecules (r2 = 0.993) in the external test set. As a result of the MCET method, the proposed pharmacophore structure was confirmed using molecular docking.

Mechanism of Guanosine Triphosphate Hydrolysis by the Visual Proteins Arl3-RP2: Free Energy Reaction Profiles Computed with Ab Initio Type QM/MM Potentials.

We report the results of calculations of the Gibbs energy profiles of the guanosine triphosphate (GTP) hydrolysis by the Arl3-RP2 protein complex using molecular dynamics (MD) simulations with ab initio type QM/MM potentials. The chemical reaction of GTP hydrolysis to guanosine diphosphate (GDP) and inorganic phosphate (Pi) is catalyzed by GTPases, the enzymes, which are responsible for signal transduction in live cells. A small GTPase Arl3, catalyzing the GTP → GDP reaction in complex with the activating protein RP2, constitute an essential part of the human vision cycle. To simulate the reaction mechanism, a model system is constructed by motifs of the crystal structure of the Arl3-RP2 complexed with a substrate analog. After selection of reaction coordinates, energy profiles for elementary steps along the reaction pathway GTP + H2O → GDP + Pi are computed using the umbrella sampling and umbrella integration procedures. QM/MM MD calculations are carried out, interfacing the molecular dynamics program NAMD and the quantum chemistry program TeraChem. Ab initio type QM(DFT)/MM potentials are computed with atom-centered basis sets 6-31G** and two hybrid functionals (PBE0-D3 and ωB97x-D3) of the density functional theory, describing a large QM subsystem. Results of these simulations of the reaction mechanism are compared to those obtained with QM/MM calculations on the potential energy surface using a similar description of the QM part. We find that both approaches, QM/MM and QM/MM MD, support the mechanism of GTP hydrolysis by GTPases, according to which the catalytic glutamine side chain (Gln71, in this system) actively participates in the reaction. Both approaches distinguish two parts of the reaction: the cleavage of the phosphorus-oxygen bond in GTP coupled with the formation of Pi, and the enzyme regeneration. Newly performed QM/MM MD simulations confirmed the profile predicted in the QM/MM minimum energy calculations, called here the pathway-I, and corrected its relief at the first elementary step from the enzyme–substrate complex. The QM/MM MD simulations also revealed another mechanism at the part of enzyme regeneration leading to pathway-II. Pathway-II is more consistent with the experimental kinetic data of the wild-type complex Arl3-RP2, whereas pathway-I explains the role of the mutation Glu138Gly in RP2 slowing down the hydrolysis rate.

Post-Thrombotic Syndrome and Recurrent Thromboembolism in Patients with Upper Extremity Deep Vein Thrombosis: A Systematic Review and Meta-Analysis of Proportions

Background: Upper extremity deep vein thrombosis (UEDVT) is known to be less common than lower extremity DVT (LEDVT). In comparison to LEDVT, there is limited data on the occurrence of complications in patients with UEDVT. As a result, it remains uncertain as to how aggressively these patients should be treated. In this systematic review, we aimed to determine the rate of complications, including post-thrombotic syndrome and recurrent thromboembolism, in patients with UEDVT.Methods: We conducted a systematic literature search of MEDLINE and EMBASE databases for relevant studies from 1970 onwards. Our search included conference publications from major international meetings. Studies were eligible for inclusion if they were observational studies (case-control, cohort), randomized trials, or cases series including more than 20 patients. Studies must have included only patients age 18 or older and have objectively diagnosed UEDVT by means of venography or ultrasound. The primary outcome measures were the recurrence rate of UEDVT in patients with previously documented UEDVT and the rate of PTS. The secondary outcome measure was the rate of major bleeding, as defined by the International Society on Thrombosis and Haemostasis (ISTH), following the initiation of treatment for UEDVT. For each outcome, we calculated a pooled proportion using a fixed effects model and its 95% confidence interval (CI) using the Wilson score method. We also determined the mean proportions of outcomes and the interquartile ranges (IQR) of single proportions from individual studies.Results: A total of 61 studies were included in the meta-analysis (58 full text articles and 3 conference publications). The studies included a total of 5500 patients diagnosed with UEDVT. Of the 61 included studies, 39 reported data on recurrence, 21 on PTS, and 28 on major bleeding. PTS was defined either by the Villalta scale explicitly (a score of 5 or more) or by similar clinical descriptors posed by the investigators.The results are summarized in Table 1. When evaluating all studies, the pooled proportions of outcomes were: 2.4% (95% CI: 2.0-2.9%) for recurrence, 15.0% (95% CI: 12.8-17.5%) for PTS, and 2.9% (95% CI: 2.5-3.5%) for major bleeding. The mean proportions were: 8.4% (IQR: 0.0-10.1%), 18.4% (IQR: 0.0-26.7%), and 4.3% (IQR: 0.0-5.7%), respectively.When evaluating studies specific to primary UEDVT in the setting of venous thoracic outlet syndrome, the pooled proportions were: 5.5% (95% CI: 4.3-7.1%) for recurrence, 16.0% (95% CI: 13.4-19.0) for PTS, and 3.3% (95% CI: 2.0-5.3%) for major bleeding. The mean proportions were: 6.8% (IQR: 0.0-9.5%), 19.6% (IQR: 0.0-30.5%), and 3.2% (IQR: 0.0-4.8%), respectively.When evaluating studies specific to secondary UEDVT (catheter-associated and/or malignancy-associated), the pooled proportions were: 2.0% (95% CI: 1.5-2.6%) for recurrence, 8.0% (95% CI: 4.9-12.8) for PTS, and 3.9% (95% CI: 3.2-4.8%) for major bleeding. The mean proportions were: 18.1% (IQR: 1.5-18.4%), 17.1% (IQR: 9.8-26.5%), and 3.8% (IQR: 0.0-5.2%), respectively.Conclusions: This review included a large number of patients diagnosed with UEDVT and found that both primary and secondary UEDVT are associated with high rates of PTS. The pooled proportions of PTS and recurrent thromboembolism were higher in patients with primary UEDVT than in patients with secondary UEDVT. The rates of major bleeding were similar in both groups. Further analysis is needed on the association of these complications with different treatment modalities for UEDVT to better guide the management of patients. Our next step is to calculate pooled proportions using a random effects model and present this data at the 59th American Society of Hematology (ASH) Annual Meeting. [Display omitted] DisclosuresLazo-Langner:Pfizer: Honoraria; Bayer: Honoraria; Daiichi Sankyo: Research Funding; Alexion: Research Funding.

Chemical similarity methods for analyzing secondary metabolite structures

Abstract The relation that exists between the structure of a compound and its function is an integral part of chemoinformatics. The similarity principle states that “structurally similar molecules tend to have similar properties and similar molecules exert similar biological activities”. The similarity of the molecules can either be studied at the structure level or at the descriptor level (properties level). Generally, the objective of chemical similarity measures is to enhance prediction of the biological activities of molecules. In this article, an overview of various methods used to compare the similarity between metabolite structures has been provided, including two-dimensional (2D) and three-dimensional (3D) approaches. The focus has been on methods description; e.g. fingerprint-based similarity in which the molecules under study are first fragmented and their fingerprints are computed, 2D structural similarity by comparing the Tanimoto coefficients and Euclidean distances, as well as the use of physiochemical properties descriptor-based similarity methods. The similarity between molecules could also be measured by using data mining (clustering) techniques, e.g. by using virtual screening (VS)-based similarity methods. In this approach, the molecules with the desired descriptors or /and structures are screened from large databases. Lastly, SMILES-based chemical similarity search is an important method for studying the exact structure search, substructure search and also descriptor similarity. The use of a particular method depends upon the requirements of the researcher.

The rôle of Coulomb branches in 2D gauge theory

I give a simple construction of the Coulomb branches {\mathscr{C}_{3,4}(G;E)} of gauge theory in three and four dimensions, defined by H. Nakajima [Adv. Theor. Math. Phys. 20 (2016)] and A. Braverman, M. Finkelberg and H. Nakajima [Adv. Theor. Math. Phys. 22 (2018)] for a compact Lie group G and a polarizable quaternionic representation E . The manifolds {\mathscr{C}(G;\mathbf{0})} are abelian group schemes over the bases of regular adjoint {G_\mathbb{C}} -orbits, respectively conjugacy classes, and {\mathscr{C}(G;E)} is glued together over the base from two copies of {\mathscr{C}(G;\mathbf{0})} shifted by a rational Lagrangian section {\varepsilon_V} , representing the Euler class of the index bundle of a polarization {V} of {E} . Extending the interpretation of {\mathscr{C}_3(G;\mathbf{0})} as “classifying space” for topological 2D gauge theories, I characterize functions on {\mathscr{C}_3(G;E)} as operators on the equivariant quantum cohomologies of {M\times V} , for compact symplectic {G} -manifolds {M} . The non-commutative version has a similar description in terms of the {\Gamma} -class of {V} .