cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
Spontaneous proton transfers induced by beryllium bonds
Creators: name: Mó, Otilia
name: Yáñez, Manuel
name: Alkorta, Ibon
name: Elguero, José
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorized

description: Through the use of B3LYP/6-311+G(d,p) density functional theory (DFT) calculations, we have shown that when a molecule participates as a proton donor in a complex, it yields much stronger hydrogen bonds (HBs) if it participates simultaneously in beryllium bonds. This is indeed the case of the complexes formed by oxyacids such as acetic, benzoic and phosphinic acids with BeCl2, which yield much stronger HBs with different bases than the isolated oxyacids due to a significant acidity enhancement, triggered by the charge transfer from the oxyacid to BeCl2. More importantly, depending on the intrinsic basicity of the base acting as proton acceptor, a spontaneous proton transfer from the oxyacid to the base may occur, leading to the formation of an ion pair in the gas phase. This is indeed the case in complexes involving ammonia. For slightly weaker bases, such as trimethylphosphine, two local minima are stable: one in which the proton remains attached to the oxyacid and one in which this proton has been transferred to the trimethylphosphine, the latter being always the most stable. When a compound is able to act simultaneously as a proton donor and as a proton acceptor, its participation in a beryllium bond necessarily leads to an enhancement and a dampening of both properties, respectively. Hence, the HB in which they participate as proton donors becomes stronger, whereas the HB in which they act as proton acceptors becomes weaker. The dimers of 1H-tetrazole and the dimers of isatin nicely illustrate this finding.
On the importance of hydrogen bonding in the promotion of Diels–Alder reactions of unactivated aldehydes: a computational study
Creators: name: Chemouri, Hafida
name: Mekelleche, Sidi Mohamed
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorized

description: The kinetic solvent effects on the Diels–Alder (DA) reaction of N,N-dimethylamino-3-trimethylsilyl butadiene with p-anisaldehyde are studied by density functional calculations at the B3LYP/6-31C(d) level of theory. Experimentally, it has been found that the acceleration of this reaction is not due to the increase of the polarity of the solvent but it is rather due to hydrogen bonding (HB). Intrinsic reaction coordinate calculations combined with electron localisation function analysis show that this reaction follows a one-step two-stage mechanism with a highly asynchronous sigma bond formation process. The calculations, performed using an explicit solvent model based on the coordination of the carbonyl group with one molecule of the solvent, show a considerable decrease of the activation energy when going from the gas phase (ϵ = 1) to solution phase and this diminution is found to be more important in isopropyl alcohol (ϵ = 18.3) in comparison with acetonitrile (ϵ = 37.5). Our calculations also show that the acceleration of this DA reaction is due to the increase of the electrophilicity power of the solvated carbonyl compound and consequently the increase of the polarity of the reaction in the presence of protic solvents. The obtained results put in evidence the relevance of HB in the promotion of DA reactions of unactivated ketones as experimentally expected.
The effect of diffuse basis functions on valence bond structural weights
Creators: name: Galbraith, John Morrison
name: James, Andrew M.
name: Nemes, Coleen T.
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorized

description: Structural weights and bond dissociation energies have been determined for H-F, H-X, and F-X molecules (-X = -OH, -NH2, and -CH3) at the valence bond self-consistent field (VBSCF) and breathing orbital valence bond (BOVB) levels of theory with the aug-cc-pVDZ and 6-31++G(d,p) basis sets. At the BOVB level, the aug-cc-pVDZ basis set yields a counterintuitive ordering of ionic structural weights when the initial heavy atom s-type basis functions are included. For H-F, H-OH, and F-X, the ordering follows chemical intuition when these basis functions are not included. These counterintuitive weights are shown to be a result of the diffuse polarisation function on one VB fragment being spatially located, in part, on the other VB fragment. Except in the case of F-CH3, this problem is corrected with the 6-31++G(d,p) basis set. The initial heavy atom s-type functions are shown to make an important contribution to the VB orbitals and bond dissociation energies and, therefore, should not be excluded. It is recommended to not use diffuse basis sets in valence bond calculations unless absolutely necessary. If diffuse basis sets are needed, the 6-31++G(d,p) basis set should be used with caution and the structural weights checked against VBSCF values which have been shown to follow the expected ordering in all cases.
Spontaneous proton transfers induced by beryllium bonds
Creators: name: Mó, Otilia
name: Yáñez, Manuel
name: Alkorta, Ibon
name: Elguero, José
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorised

description: Through the use of B3LYP/6-311+G(d,p) density functional theory (DFT) calculations, we have shown that when a molecule participates as a proton donor in a complex, it yields much stronger hydrogen bonds (HBs) if it participates simultaneously in beryllium bonds. This is indeed the case of the complexes formed by oxyacids such as acetic, benzoic and phosphinic acids with BeCl2, which yield much stronger HBs with different bases than the isolated oxyacids due to a significant acidity enhancement, triggered by the charge transfer from the oxyacid to BeCl2. More importantly, depending on the intrinsic basicity of the base acting as proton acceptor, a spontaneous proton transfer from the oxyacid to the base may occur, leading to the formation of an ion pair in the gas phase. This is indeed the case in complexes involving ammonia. For slightly weaker bases, such as trimethylphosphine, two local minima are stable: one in which the proton remains attached to the oxyacid and one in which this proton has been transferred to the trimethylphosphine, the latter being always the most stable. When a compound is able to act simultaneously as a proton donor and as a proton acceptor, its participation in a beryllium bond necessarily leads to an enhancement and a dampening of both properties, respectively. Hence, the HB in which they participate as proton donors becomes stronger, whereas the HB in which they act as proton acceptors becomes weaker. The dimers of 1H-tetrazole and the dimers of isatin nicely illustrate this finding.
First record of ergatandromorphous Temnothorax turcicus (Santschi, 1934) (Hymenoptera: Formicidae) in Slovakia
Creators: name: Purkart, Adrián
name: Krčmárik, Samuel
name: Jancík, Lukáš
Publisher: name: Fragmenta entomologica
Year: 2024

description: Various morphological malformations have always attracted the attention of naturalists. One of the iconic ones is gynandromorphy, in which an individual shows both male and female traits. Although this phenomenon is considered common across the insect kingdom, the level of scientific knowledge is still poor in ants – one of the most studied groups of arthropods. In this study, we present the discovery of a worker ant [of the rare thermophilic species Temnothorax turcicus (Santschi, 1934)] from the territory of Slovakia, part of whose head bears the characteristics of a male. Observations of a live individual affected in this way were also made. Additionally, the location where this specimen was found is currently the northernmost known distribution point of this species in Europe.
description: Fragmenta entomologica, Vol. 56 No. 1 (2024)
title: Die Praxis der Alterseinschätzung von unbegleiteten minderjährigen Flüchtlingen
Creators: name: Gelhaar, Julia
Publisher: name: Fachinformationsdienst für internationale und interdisziplinäre Rechtsforschung
Year: 2018
Subjects: subject: 341

description: Kritische Justiz, vol. 51, no. 2, p. 179
title: Interner Schutz?: Das Konzept in der deutschen Rechtsprechung in Anwendung auf afghanische Geflüchtete
Creators: name: Gelhaar, Julia
Publisher: name: Fachinformationsdienst für internationale und interdisziplinäre Rechtsforschung
Year: 2019
Subjects: subject: 341

description: Kritische Justiz, vol. 52, no. 2, p. 176
Probabilistic Permutation Graph Search: Black-Box Optimization for Fairness in Ranking
Creators: name: Vardasbi, Ali
name: Sarvi, Fatemeh
name: de Rijke, Maarten
Publisher: name: arXiv
Year: 2022
Subjects: subject: Machine Learning (cs.LG)
subject: Information Retrieval (cs.IR)
subject: FOS: Computer and information sciences

description: There are several measures for fairness in ranking, based on different underlying assumptions and perspectives. PL optimization with the REINFORCE algorithm can be used for optimizing black-box objective functions over permutations. In particular, it can be used for optimizing fairness measures. However, though effective for queries with a moderate number of repeating sessions, PL optimization has room for improvement for queries with a small number of repeating sessions. In this paper, we present a novel way of representing permutation distributions, based on the notion of permutation graphs. Similar to PL, our distribution representation, called PPG, can be used for black-box optimization of fairness. Different from PL, where pointwise logits are used as the distribution parameters, in PPG pairwise inversion probabilities together with a reference permutation construct the distribution. As such, the reference permutation can be set to the best sampled permutation regarding the objective function, making PPG suitable for both deterministic and stochastic rankings. Our experiments show that PPG, while comparable to PL for larger session repetitions (i.e., stochastic ranking), improves over PL for optimizing fairness metrics for queries with one session (i.e., deterministic ranking). Additionally, when accurate utility estimations are available, e.g., in tabular models, the performance of PPG in fairness optimization is significantly boosted compared to lower quality utility estimations from a learning to rank model, leading to a large performance gap with PL. Finally, the pairwise probabilities make it possible to impose pairwise constraints such as "item $d_1$ should always be ranked higher than item $d_2$." Such constraints can be used to simultaneously optimize the fairness metric and control another objective such as ranking performance.
description: SIGIR 2022
On the importance of hydrogen bonding in the promotion of Diels–Alder reactions of unactivated aldehydes: a computational study
Creators: name: Chemouri, Hafida
name: Mekelleche, Sidi Mohamed
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorised

description: The kinetic solvent effects on the Diels–Alder (DA) reaction of N,N-dimethylamino-3-trimethylsilyl butadiene with p-anisaldehyde are studied by density functional calculations at the B3LYP/6-31C(d) level of theory. Experimentally, it has been found that the acceleration of this reaction is not due to the increase of the polarity of the solvent but it is rather due to hydrogen bonding (HB). Intrinsic reaction coordinate calculations combined with electron localisation function analysis show that this reaction follows a one-step two-stage mechanism with a highly asynchronous sigma bond formation process. The calculations, performed using an explicit solvent model based on the coordination of the carbonyl group with one molecule of the solvent, show a considerable decrease of the activation energy when going from the gas phase (ϵ = 1) to solution phase and this diminution is found to be more important in isopropyl alcohol (ϵ = 18.3) in comparison with acetonitrile (ϵ = 37.5). Our calculations also show that the acceleration of this DA reaction is due to the increase of the electrophilicity power of the solvated carbonyl compound and consequently the increase of the polarity of the reaction in the presence of protic solvents. The obtained results put in evidence the relevance of HB in the promotion of DA reactions of unactivated ketones as experimentally expected.
Algorithms for Nonconvex Optimization Problems in Machine Learning and Statistics
Creators: name: Mohr, Robert
Publisher: name: Karlsruhe
Year: 2020

description: The purpose of this thesis is the design of algorithms that can be used to determine optimal solutions to nonconvex data approximation problems. In Part I of this thesis, we consider a very general class of nonconvex and large-scale data approximation problems and devise an algorithm that efficiently computes locally optimal solutions to these problems. As a type of trust-region Newton-CG method, the algorithm can make use of directions of negative curvature to escape saddle points, which otherwise might slow down the optimization process when solving nonconvex problems. We present results of numerical experiments on convex and nonconvex problems which support our claim that our algorithm has significant advantages compared to methods like stochastic gradient descent and its variance-reduced versions. In Part II we consider the univariate least-squares spline approximation problem with free knots, which is known to possess a large number of locally minimal points far from the globally optimal solution. Since in typical applications, neither the dimension of the decision variable nor the number of data points is particularly large, it is possible to make use of the specific problem structure in order to devise algorithmic approaches to approximate the globally optimal solution of problem instances of relevant sizes. We propose to approximate the continuous original problem with a combinatorial optimization problem, and investigate two algorithmic approaches for the computation of the optimal solution of the latter.
The effect of diffuse basis functions on valence bond structural weights
Creators: name: Galbraith, John Morrison
name: James, Andrew M.
name: Nemes, Coleen T.
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorised

description: Structural weights and bond dissociation energies have been determined for H-F, H-X, and F-X molecules (-X = -OH, -NH2, and -CH3) at the valence bond self-consistent field (VBSCF) and breathing orbital valence bond (BOVB) levels of theory with the aug-cc-pVDZ and 6-31++G(d,p) basis sets. At the BOVB level, the aug-cc-pVDZ basis set yields a counterintuitive ordering of ionic structural weights when the initial heavy atom s-type basis functions are included. For H-F, H-OH, and F-X, the ordering follows chemical intuition when these basis functions are not included. These counterintuitive weights are shown to be a result of the diffuse polarisation function on one VB fragment being spatially located, in part, on the other VB fragment. Except in the case of F-CH3, this problem is corrected with the 6-31++G(d,p) basis set. The initial heavy atom s-type functions are shown to make an important contribution to the VB orbitals and bond dissociation energies and, therefore, should not be excluded. It is recommended to not use diffuse basis sets in valence bond calculations unless absolutely necessary. If diffuse basis sets are needed, the 6-31++G(d,p) basis set should be used with caution and the structural weights checked against VBSCF values which have been shown to follow the expected ordering in all cases.
The species of the booklice genus Liposcelis Motschulsky, 1852 of Belarus (Psocoptera: Liposcelididae)
Creators: name: Ostrovsky, Artsiom
name: Georgiev, Dilian
Publisher: name: Fragmenta entomologica
Year: 2024

description: Eight species of the apterous genus Liposcelis (Psocoptera: Liposcelididae), L. bostrychophila Badonnel, 1931, L. corrodens (Heymons, 1909), L. decolor (Pearman, 1925), L. pearmani Lienhard, 1990, L. silvarum (Kolbe, 1888), L. formicaria (Hagen, 1865), L. aleksandrowiczi Georgiev, Ostrovsky Lienhard, 2020 and L. sp. cf. entomophila (Enderlein, 1907), are recorded for Belarus. The latter species is recorded in Belarus for the first time. Brief information about their modern distribution, as well as features of biology and ecology is given.
description: Fragmenta entomologica, Vol. 56 No. 1 (2024)
Neobisium (Neobisium) courtiali, a new pseudoscorpion species from France (Arachnida: Pseudoscorpiones, Neobisiidae)
Creators: name: Gardini, Giulio
Publisher: name: Fragmenta entomologica
Year: 2024

description: Neobisium (Neobisium) courtiali n. sp. is described from France (Department of Puy-de-Dôme) and compared with Neobisium (Neobisium) pauperculum Beier, 1959 from Spain (Cantabria and Asturias), with which it shares its small size and from which it differs above all in having partially granular pedipalpal femur and hand and slenderer pedipalps.
description: Fragmenta entomologica, Vol. 56 No. 1 (2024)
Pantala flavescens successfully breeding for the second time in Malta (Maltese Archipelago) (Odonata: LIbellulidae)
Creators: name: Gauci, Charles
Publisher: name: Fragmenta entomologica
Year: 2024

description: After being first recorded in the Maltese Islands in 2013 and successfully breeding on the archipelago’s largest island of Malta in 2020 following an unprecedented influx, Pantala flavescens (Fabricius, 1798) has again bred successfully on the same island in 2023. 259 exuviae were found at four small reservoirs in the same valley system of Burmarrad, on the island of Malta.
description: Fragmenta entomologica, Vol. 56 No. 1 (2024)
A new species of Ischnostomiella Krikken, 1978 from the Limpopo Province of South Africa (Scarabaeidae: Cetoniinae, Xiphoscelidini)
Creators: name: Perissinotto, Renzo
name: Irish, John
Publisher: name: Fragmenta entomologica
Year: 2024

description: A female putative specimen of “Ischnostoma luridipennis Burmeister, 1842” from northern South Africa (Limpopo) was recently studied by the authors among material traced and housed temporarily in the Windhoek Museum (Namibia), as part of an old and unrecorded loan from the Zoology Museum of the Lund University (Sweden). A close analysis of this specimen has revealed that it actually represents a new species of Ischnostomiella Krikken, 1978, here described as I. rudebecki sp. nov. The new species differs from the two other species currently known in this genus, I. denticeps Krikken, 1978 and I. werneri Beinhundner, 2005, mainly by its remarkable testaceous-orange colour, its clypeal U-shape, the poorly developed elytral costae and the complete absence of any brown cretaceous maculation. The species appears to be myrmecophilous, the holotype having been retrieved from a pugnacious ant [Anoplolepis custodiens (Smith, 1858)] nest, and the known distribution thus far is the lowveld of the Limpopo Province in north-eastern South Africa.
description: Fragmenta entomologica, Vol. 56 No. 1 (2024)
The Implications of N = 2 Supergravity Cosmology On the Topology of the Calabi-Yau Manifold
Creators: name: Salem, Safinaz
name: Emam, Moataz H.
name: Salah, H. H.
Publisher: name: arXiv
Year: 2022
Subjects: subject: General Relativity and Quantum Cosmology (gr-qc)
subject: FOS: Physical sciences

description: When N= D=11 supergravity is compactified on CY threefold to N=2 D=5 supergravity the action of the last is given in terms of the geometery of the CY manifold space, namely, in terms of the hypermultiplets. There are $z^i(i=1,...,h^{2,1})$ complex structure moduli in the moduli space of the CY manifold which is a special Kähler manifold with a metric $G_{i\bar{j}}$. We solve the field equations of the complex structure moduli with the solution of the Einstein field equations to the moduli velocity norm $G_{i\bar{j}} z^i z^{\bar{j}}$ in case of a 3- brane filled with radiation, dust and energy embedded in the bulk of D=5 supergravity. We get the time dependence of the moduli and the metric. Then we can further deduce the geometry of the moduli space by getting the Kähler potential which directly relates to the volume of the CY manifold.
description: 13 pages, 7 figures
An inventory of the spider species of “La Mandria” Regional Natural Park (NW Italy) (Arachnida: Araneae)
Creators: name: Tolve, Marco
name: Tagliabue, Marco
name: Girodo, Alessandro
name: Giuva, Davide
name: Piano, Elena
name: Piquet, Anna
name: Isaia, Marco
Publisher: name: Fragmenta entomologica
Year: 2024

description: We present an inventory of the spider species of the “La Mandria” Regional Natural Park (Province of Turin, Piedmont, Italy), mostly based on original data collected between 2022 and 2023. Spiders were sampled by means of pitfall traps and beating trays in the most representative habitats of the Park. Few additional species were included to the inventory from iNaturalist observations and from available literature data. We reported a total of 149 species, representing 100 genera and 28 families. Thirty-seven species are recorded for the first time in the Province of Turin and 12 are new for Piedmont. The most represented families were Lycosidae and Linyphiidae, followed by Gnaphosidae and Thomisidae. The highest number of species (60) was recorded in woodland edges, followed by mown meadows (57) and mixed broadleaved woods (50). The composition of the spider assemblages aligns with those found in similar habitats in the frame of other studies conducted in the Po Valley. Most of the species have a Palaeartic distribution, followed by Turanic-European-Mediterranean and European elements. Noteworthy, we recorded two endemic species (Nemesia pedemontana and Dysdera lantosquensis) and three alien species (Mermessus trilobatus, Erigone autumnalis and Theridula gonygaster). We also provide new taxonomic illustrations of two riparian Gnaphosidae (Gnaphosa dolosa and G. rhenana). Besides the faunistic contribution, this inventory aims at providing a basis for further studies on the conservation ecology of spiders in NW Italy.
description: Fragmenta entomologica, Vol. 56 No. 1 (2024)
Lipase-Catalyzed Condensation Reaction of 4-Nitrobenzaldehyde with Acetyl Acetone in Aqueous–Organic Cosolvent Mixtures and in Nearly Anhydrous Media
Creators: name: Munishwar N. Gupta
name: Majumder, Abir B.
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorized

description: The nature of the product(s) in lipase-catalyzed reaction of acetyl acetone with 4-nitrobenzaldehyde was found to depend upon the source of lipase and the reaction medium. Mucor javanicus lipase was found to give 70% aldol with 80% enantiomeric excess in anhydrous t-amyl alcohol. A 2:2 adduct was formed by the dimerization of the aldol along with an unsaturated cyclic ether as the side products in varying proportions depending upon the reaction medium and the lipase used. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications® for the following free supplemental resource(s): Full experimental and spectral details.]
Lipase-Catalyzed Condensation Reaction of 4-Nitrobenzaldehyde with Acetyl Acetone in Aqueous–Organic Cosolvent Mixtures and in Nearly Anhydrous Media
Creators: name: Munishwar N. Gupta
name: Majumder, Abir B.
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorised

description: The nature of the product(s) in lipase-catalyzed reaction of acetyl acetone with 4-nitrobenzaldehyde was found to depend upon the source of lipase and the reaction medium. Mucor javanicus lipase was found to give 70% aldol with 80% enantiomeric excess in anhydrous t-amyl alcohol. A 2:2 adduct was formed by the dimerization of the aldol along with an unsaturated cyclic ether as the side products in varying proportions depending upon the reaction medium and the lipase used. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications® for the following free supplemental resource(s): Full experimental and spectral details.]
Présidence de la République : Arnold Munnich
Creators: name: Leibowitch, Jacques (1942-2020)
Publisher: name: NAKALA - https://nakala.fr (Huma-Num - CNRS)
publisherIdentifier: https://ror.org/04ces3204
publisherIdentifierScheme: ROR
Year: 2020

description: 1 fichier (1 page). Autres destinataires : Dominique Mathez, François Simon, François Clavel
Synthesis of Substituted Benzofurans by the Tandem One-Pot Intramolecular Carbolithiation–Cyclization–Substitution Sequence
Creators: name: Rodríguez, Cristian
name: Nudelman, Norma Sbarbati
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorized

description: A convenient methodology for the synthesis of 3-sustituted-2,3-dihydrobenzofurans was developed based on the tandem intramolecular carbolithiation–cyclization of 2-bromophenyl-3-phenylprop-2-enyl ether, followed by trapping of the new lithiated intermediate by suitable electrophiles. Several electrophiles were tested, affording good to excellent yields. Alkyl bromides show better results than chlorides and when doubly halogenated alkyl chains are used as electrophiles only one position reacts, affording substituted benzofurans conveniently functionalized to undergo further reactions. The performance of both butyl and phenyllithium as lithiating agents was examined. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications® for the following free supplemental resource(s): Full experimental and spectral details.]
The first record of the rare hangingfly Bittacus hageni in Bosnia and Herzegovina (Mecoptera: Bittacidae)
Creators: name: Kulijer, Dejan
name: Willmann, Rainer
Publisher: name: Fragmenta entomologica
Year: 2024

description: The first record of Bittacus hageni Brauer, 1860 for Bosnia and Herzegovina is reported. This is the second record of the species for the Balkan Peninsula and extends the known range of this rare bittacid in Europe considerably.
description: Fragmenta entomologica, Vol. 56 No. 1 (2024)
Synthesis of Substituted Benzofurans by the Tandem One-Pot Intramolecular Carbolithiation–Cyclization–Substitution Sequence
Creators: name: Rodríguez, Cristian
name: Nudelman, Norma Sbarbati
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorised

description: A convenient methodology for the synthesis of 3-sustituted-2,3-dihydrobenzofurans was developed based on the tandem intramolecular carbolithiation–cyclization of 2-bromophenyl-3-phenylprop-2-enyl ether, followed by trapping of the new lithiated intermediate by suitable electrophiles. Several electrophiles were tested, affording good to excellent yields. Alkyl bromides show better results than chlorides and when doubly halogenated alkyl chains are used as electrophiles only one position reacts, affording substituted benzofurans conveniently functionalized to undergo further reactions. The performance of both butyl and phenyllithium as lithiating agents was examined. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications® for the following free supplemental resource(s): Full experimental and spectral details.]
Calamitic liquid crystals of 1,2,3-triazole connected to azobenzene: synthesis, characterisation and anisotropic properties
Creators: name: Balamurugan, Subramanian
name: Guan-Yeow Yeap
name: Mahmood, Wan Ahmad Kamil
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorised

description: Azobenzene-based calamitic liquid crystals, 4-((4-(4-methoxymethyl-1,2,3-triazol-1-yl)phenyl)diazenyl)phenylalkanoates have been isolated and their structures were characterised. The structure–property correlation with respect to the different alkanoyloxy terminal chain (–COOCnH2n+1 where n adopts odd numbers ranging from 3 to 15) has also been given attention in the present study. In this series, all compounds exhibit smectogenic properties. The lower homologues shows enantiotropic SmA phase as well as monotropic SmC phase. The higher homologues exhibit homeotropic alignment of smectic phases. These compounds possess very high anisotropic inclination in which the mesomorphic region covers nearly 80°C.
Automatic Machine Learning for Multi-Receiver CNN Technology Classifiers
Creators: name: Yazdani-Abyaneh, Amir-Hossein
name: Krunz, Marwan
Publisher: name: arXiv
Year: 2022
Subjects: subject: Machine Learning (cs.LG)
subject: Networking and Internet Architecture (cs.NI)
subject: Signal Processing (eess.SP)
subject: FOS: Computer and information sciences
subject: FOS: Electrical engineering, electronic engineering, information engineering

description: Convolutional Neural Networks (CNNs) are one of the most studied family of deep learning models for signal classification, including modulation, technology, detection, and identification. In this work, we focus on technology classification based on raw I/Q samples collected from multiple synchronized receivers. As an example use case, we study protocol identification of Wi-Fi, LTE-LAA, and 5G NR-U technologies that coexist over the 5 GHz Unlicensed National Information Infrastructure (U-NII) bands. Designing and training accurate CNN classifiers involve significant time and effort that goes into fine-tuning a model's architectural settings and determining the appropriate hyperparameter configurations, such as learning rate and batch size. We tackle the former by defining architectural settings themselves as hyperparameters. We attempt to automatically optimize these architectural parameters, along with other preprocessing (e.g., number of I/Q samples within each classifier input) and learning hyperparameters, by forming a Hyperparameter Optimization (HyperOpt) problem, which we solve in a near-optimal fashion using the Hyperband algorithm. The resulting near-optimal CNN (OCNN) classifier is then used to study classification accuracy for OTA as well as simulations datasets, considering various SNR values. We show that the number of receivers to construct multi-channel inputs for CNNs should be defined as a preprocessing hyperparameter to be optimized via Hyperband. OTA results reveal that our OCNN classifiers improve classification accuracy by 24.58% compared to manually tuned CNNs. We also study the effect of min-max normalization of I/Q samples within each classifier's input on generalization accuracy over simulated datasets with SNRs other than training set's SNR and show an average of 108.05% improvement when I/Q samples are normalized.
description: To appear in Proceedings of ACM Workshop on Wireless Security and Machine Learning (WiseML) 2022
A new subgenus and species of Crepidogaster from Madagascar (Coleoptera: Carabidae, Brachininae, Crepidogastrini)
Creators: name: Massimo, Niccolò
name: Sciaky, Riccardo
Publisher: name: Fragmenta entomologica
Year: 2024

description: Crepidogaster (Sphaerotyronia) rotundata subg. nov., sp. nov. is herein described on the basis of a male specimen from East Madagascar. The male habitus and genitalia are illustrated, and some considerations are presented about the systematics of the genus Crepidogaster and the tribe Crepidogastrini.
description: Fragmenta entomologica, Vol. 56 No. 1 (2024)
title: Calendrier des ateliers du numérique du 2nd semestre 2015
Creators: name: LabexMed
Publisher: name: NAKALA - https://nakala.fr (Huma-Num - CNRS)
publisherIdentifier: https://ror.org/04ces3204
publisherIdentifierScheme: ROR
Year: 2017

description: Calendrier des ateliers du numérique du 2nd semestre 2015
description: Relation: http://labexmed.hypotheses.org/1552
Direct Arylation of Adenine by Fluoro- and Chloronitrobenzenes: Effect of Microwaves
Creators: name: Váňa, Lubomír
name: Lukáš Vrzal
name: Dvořáková, Hana
name: Himl, Michal
name: Linhart, Igor
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorized

description: Direct arylation of adenine with fluoro- and chloronitrobenzenes leads to mixtures of N9 and N7 substituted adenines. After separation by column chromatography, the individual isomers can be efficiently hydrogenated on Pd to give the corresponding aminophenyladenines. A significant enhancement of the reaction rate by microwave irradiation was observed. This two-step procedure was found to be a feasible route to otherwise hardly available 7-aminophenyladenines. Correlation between calculated shielding constants and experimental values of chemical shifts in 13C and 15N NMR was used for assignment of the site of substitution. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications® for the following free supplemental resource(s): Full experimental and spectral details.]
One-Pot, Catalyst-Free Synthesis of Spirooxindole and 4H-Pyran Derivatives
Creators: name: Thanasekaran Ponpandian
name: Muthusubramanian, Shanmugam
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorized

description: The synthesis of biologically valuable spirooxindoles and 4H-pyrans is described under catalyst-free conditions through sequential Knoevenagel–Michael–cyclization reactions from isatin or aromatic aldehyde, malononitrile, and 1,3-dicarbonyl compounds. The reaction conditions are very simple, providing excellent yield. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications® for the following free supplemental resource(s): Full experimental and spectral details.]
Some Neuroptera of the Horn of Africa from the Museum of Zoology of the University of Rome “La Sapienza” (Neuroptera: Chrysopidae, Mantispidae, Ascalaphidae, Myrmeleontidae)
Creators: name: Insom, Emilio
name: Terzani, Fabio
Publisher: name: Fragmenta entomologica
Year: 2024

description: The study of Neuroptera from the Horn of Africa preserved in collections of the Museum of Zoology of the University of Rome “La Sapienza” and those collected several years ago by the late entomologist Prof. A. Vigna Taglianti (Rome), contributes to increasing our knowledge of the neuropterological fauna for this part of East Africa. We give a description of the female of Apertochrysa eurydera (Navás, 1910) and a comparison between the male of Stenares completus Banks, 1915 (of which only the female was known) and that of S. irroratus Navás, 1912 (based on a specimen preserved in the Museum of Zoology of the University of Florence).
description: Fragmenta entomologica, Vol. 56 No. 1 (2024)
Post Hoc Comparisons.
Creators: name: Hypotheses, Dental
Publisher: name: figshare
Year: 2024
Subjects: classificationCode: 320304
subject: Endodontics
classificationCode: 320305
subject: Oral and maxillofacial surgery
classificationCode: 320303
subject: Dental therapeutics, pharmacology and toxicology
classificationCode: 320310
subject: Periodontics
classificationCode: 320309
subject: Paedodontics

description: Periodontal Ligament Fibroblast Viability
title: Deutschland als amicus curiae: Zur Debatte um die Staatlichkeit Palästinas als Voraussetzung der Jurisdiktion des Internationalen Strafgerichtshofs
Creators: name: Özdemir, Özgen
Publisher: name: Fachinformationsdienst für internationale und interdisziplinäre Rechtsforschung
Year: 2020
Subjects: subject: 341

description: Völkerrechtsblog
Eidophelus caucasicus (Lindemann, 1877) a bark beetle confirmed for the Italian fauna after almost 100 years (Coleoptera: Curculionidae, Scolytinae)
Creators: name: Dal Cortivo, Marialuisa
Publisher: name: Fragmenta entomologica
Year: 2024

description: A monitoring project focused on saproxylic beetles of “Sasso Fratino Integral Nature Reserve” (Bagno di Romagna, FC), allowed to confirm the presence of the bark beetle Eidophelus caucasicus (Lindemann, 1877) for the Italian fauna. This species was previously known only for “Venezia Tridentina” (corresponding to the current Trentino-South Tyrol) from an old record, never confirmed for Italy since.
description: Fragmenta entomologica, Vol. 56 No. 1 (2024)
Review of the Amaurina Kolbe, 1895 of Angola, with description of a new species (Scarabaeidae: Cetoniinae, Leucocelina)
Creators: name: Perissinotto, Renzo
name: Malec, Petr
Publisher: name: Fragmenta entomologica
Year: 2024

description: The genus Amaurina Kolbe, 1895 has undergone a turbulent taxonomic history and is currently composed of five species, two of which have been recorded from Angola thus far. A new species has recently been discovered in the central and eastern parts of this country and is hereby described as A. schuelei sp. nov. This new species is most closely related, both biogeographically and morphologically, to the sympatric A. spoliata (Harold, 1879), but can superficially be separated from this by its smaller size, the more deplanate body shape lined with a white band across its entire perimeter, the more marked umbonal width and a deeper subhumeral arch. Furthermore, its aedeagal parameres differ markedly from those of A. spoliata, and indeed from those of any other species in the genus, by virtue of their extremely reduced external lobes. Only the holotype specimen is currently known physically, but a photographic observation posted on the iNaturalist platform indicates that the species may actually occur across a wide, although poorly accessible, region of Angola and possibly even in neighbouring Zambia.
description: Fragmenta entomologica, Vol. 56 No. 1 (2024)
Assessment of Odonate assemblages in the Agro Pontino (Latina, Central Italy) using two biotic indices (Insecta: Odonata)
Creators: name: Golfieri, Bruno
name: Dodaro, Giuseppe
Publisher: name: Fragmenta entomologica
Year: 2024

description: Odonate assemblages were surveyed in seven sites within the context of the EU LIFE project GREENCHANGE that aims to preserve biodiversity and to enhance the ecological value of the agro-ecosystems of Agro Pontino (Latina, Central Italy) through interventions of ecological restoration. In total 16 species were recorded during the ante-operam surveys in 2019, which represent 28% of the Odonate fauna of the Lazio Region. None of them has a significant conservation interest, however Coenagrion castellani, an endemic Italian species, was observed in a small rivulet near the Pantanello site during an additional fi eld survey. The application of OHI (Odonate Habitat Index) and ORI (Odonate River Index) allowed a detailed characterization of the dragonfl y assemblages that are mainly dominated by eurytopic and euryecious species typical of standing waters. The assemblages of Pantanello and Fosso Epitaffio are notable exceptions thanks to the presence of sensitive lentic and lotic species. The main pressures affecting Odonate assemblages identified in the study area are the alterations of aquatic and riparian vegetation, the hydromorphological degradation of running waters, limited water quality and the presence of the invasive crayfi sh Procambarus clarkii.
description: Fragmenta entomologica, Vol. 56 No. 1 (2024)
First record of Laemostenus (Laemostenus) barbarus (Lucas, 1846) in Sardinia (Coleoptera: Carabidae, Harpalinae, Sphodrini)
Creators: name: Biscaccianti, Alessandro Bruno
name: Allegro, Gianni
Publisher: name: Fragmenta entomologica
Year: 2024

description: The rare W-Mediterranean carabid beetle Laemostenus barbarus (Lucas, 1846) is here reported for the first time from Sardinia and confirmed to Calabria. The currently known distribution and ecology of this species are briefly discussed.
description: Fragmenta entomologica, Vol. 56 No. 1 (2024)
title: Polizeigebühren dürfen nicht den Grundrechtsgebrauch beeinträchtigen!
Creators: name: Fährmann, Jan
name: Aden, Hartmut
Publisher: name: Fachinformationsdienst für internationale und interdisziplinäre Rechtsforschung
Year: 2020
Subjects: subject: 342

description: Verfassungsblog: On Matters Constitutional
Facile One-Pot Synthesis of 1,2,3-Triazoles Featuring Oxygen, Nitrogen, and Sulfur Functionalized Pendant Arms
Creators: name: Mendoza-Espinosa, Daniel
name: Negrón-Silva, Guillermo
name: Lomas-Romero, Leticia
name: Gutiérrez-Carrillo, Atilano
name: Santillán, Rosa
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorized

description: A practical and efficient one-pot synthesis of novel 1,2,3-triazoles featuring nitrogen, oxygen, and sulfur functionalized pendant arms has been developed. The click reaction of mono-propargyl derivatives supported by aniline, thiophenol, and benzyl alcohol, with sodium azide and p-substituted benzyl halogenides, renders a series of N-substituted-1,2,3-triazoles in good yields under mild reaction conditions. The catalyst system was based in Cu(OAc)2 · H2O, sodium L-ascorbate, and 1,10-phenanthroline monohydrate, and all reactions were performed in a mixture H2O–ethanol (4:1 v/v). Additionally, the preparation of bis-1,2,3-triazoles supported by di-propargylated aniline was carried out, demonstrating the versatility of the present methodology. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications® for the following free supplemental resource(s): Full experimental and spectral details.]
Pelidnota burmeisteri subsp. tricolor Nonfried 1894
Creators: name: Ferreira, André da Silva
name: Grossi, Paschoal C.
name: Seidel, Matthias
Publisher: name: Zenodo
Year: 2023
Subjects: Biodiversity
Taxonomy
Animalia
Arthropoda
Insecta
Coleoptera
Scarabaeidae
Pelidnota
Pelidnota burmeisteri
Pelidnota burmeisteri tricolor nonfried, 1894

description: Pelidnota burmeisteri tricolor Nonfried, 1894 (Fig. 5 A-5I)   Pelidnota tricolor Nonfried, 1894: 123–124 [original description].
Pelidnota sumptuosa var. tricolor Nonfried [new infrasubspecific status by F. Bates 1904: 260].
Pelidnota burmeisteri var.tricolor Nonfried [revised infrasubspecific status by Ohaus 1905: 317].
Pelidnota (Pelidnota) burmeisteri var. tricolor Nonfried [new subgeneric combination by Ohaus 1918: 25].
Pelidnota burmeisteri tricolor Nonfried [new combination and new subspecific status by Soula (2009, pp. 38-39)].
 Type material: 1 male lectotype (present designation) of Pelidnota tricolor Nonfried at ZMHB [seeMoore et al.(2017, p. 170)], see Figure 57 in Moore et al. (2017, p. 172), 1 male lectotype: “Coll. Nonfried. / Brasilia // Pelidnota / tricolor / Nonfried // Type // LECTOTYPE / Pelidnota burmeisteri tricolor / Nonfried,1894 / des.Ferreira,Grossi& Seidel 2022”. 1male syntype at ZSM: “Coll. Nonfried. / Brasilia. // Pelidnota / tricolor / Nonfr. Cotype // Staatssammlung / München,1975/ Erwerb Coll./ Machatschke// SYNTYPE / Pelidnota tricolor / Nonfried,1894 / det.M.Seidel2019 // WORLD / SCARAB. / DATABASE / WSD00344828” // PARALECTOTYPE / Pelidnota burmeisteri tricolor / Nonfried, 1894 / des. Ferreira, Grossi & Seidel 2022 (Fig. 5E).
 Examined material: No additional material examined.
 Distribution: BRAZIL: Mato Grosso (Ohaus, 1905, 1918, 1934; Blackwelder, 1944; Machatschke, 1972; Krajcik, 2008; Soula, 2009; Moore et al., 2017) (Fig. 18). As far as we have noticed there are only the syntypes of this subspecies, and no other specimen from Mato Grosso state was collected, or has been published.
description: Published as part of Ferreira, André da Silva, Grossi, Paschoal C. & Seidel, Matthias, 2022, The taxonomic status of Pelidnota gounellei (Ohaus, 1908) and Pelidnota ludovici Ohaus, 1905 (Coleoptera: Scarabaeoidea: Melolonthidae), pp. 1-12 in Revista Brasileira de Entomologia (e 20220025) (e 20220025) 66 (4) on page 3, DOI: 10.1590/1806-9665-RBENT-2022-0025, http://zenodo.org/record/13197482
One-Pot, Catalyst-Free Synthesis of Spirooxindole and 4H-Pyran Derivatives
Creators: name: Thanasekaran Ponpandian
name: Muthusubramanian, Shanmugam
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorised

description: The synthesis of biologically valuable spirooxindoles and 4H-pyrans is described under catalyst-free conditions through sequential Knoevenagel–Michael–cyclization reactions from isatin or aromatic aldehyde, malononitrile, and 1,3-dicarbonyl compounds. The reaction conditions are very simple, providing excellent yield. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications® for the following free supplemental resource(s): Full experimental and spectral details.]
Synthesis, Antibacterial, and Antifungal Activities of Imidazo[2,1-c][1,2,4]triazoles and 1,2,4-Triazolo[4,3-a]pyrimidinones
Creators: name: Aouali, Monia
name: Allouche, Fatma
name: Imen Zouari
name: Dhekra Mhalla
name: Trigui, Mohamed
name: Fakher Chabchoub
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorized

description: A straightforward method has been developed for the synthesis of 1-phenyl-imidazo [2,1-c][1,2,4]triazole derivatives 5a–j and 1-phenyl-[1,2,4]triazolo[4,3-a]pyrimidinones derivatives 6a–g starting from 5-amino-1-phenyl[1,2,4]triazole and p-toluenesulfonic acid (PTSA). This methodology affords a number of 1-phenyl-imidazo [2,1-c][1,2,4]triazoles 5a–j and 1-phenyl-[1,2,4]triazolo[4,3-a]pyrimidinones 6a–g in reasonable yields and short reaction times. The structures of all new compounds were elucidated using infrared, 1H and 13C NMR, and high-resolution mass spectrometry. Some of the newly synthesized compounds were screened for their antimicrobial activity. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications® for the following free supplemental resource(s): Full experimental and spectral details.]
One-Pot Esterification and Amide Formation via Acid-Catalyzed Dehydration and Ritter Reactions
Creators: name: Dawar, Pankaj
name: M. Bagavan Raju
name: Ramesha Andagar Ramakrishna
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorized

description: Esterification of carboxylic acid is achieved using acetonitrile as a water trap. Water liberated during esterification is consumed in cyanide hydrolysis, thereby driving the esterification to completion. Substrates having carboxylic acid and nitrile groups undergo intramolecular dehydration and rehydration to amido esters in the absence of acetonitrile. Cyano acids also undergo esterification and Ritter reaction in one pot when excess alcohol is used. For the first time, we have observed an interesting Ritter reaction of primary alcohols, leading to ester amide product in one pot. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications® for the following free supplemental resource(s): Full experimental and spectral details.]
title: Das kommunale Ausländerwahlrecht ‚revisited‘: Eine vertane Chance für die Revitalisierung der Demokratie auf lokaler Ebene
Creators: name: Frick, Verena
Publisher: name: Fachinformationsdienst für internationale und interdisziplinäre Rechtsforschung
Year: 2020
Subjects: subject: 342

description: Verfassungsblog: On Matters Constitutional