Inductive Groups Research Articles

Synthesis and theoretical study of the stability and reactivity of some 2-[(benzimidazolyl)methylthio]-4,5-diphenylimidazole derivatives using the density functional theory (DFT) method

The stability and reactivity of the five (5) 2-[(benzimidazolyl)methylthio]-4,5-diphenylimidazole derivatives were studied using density functional theory at the B3LYP/6-31+ G (d, p) level. Analysis of the molecular electrostatic potential (MEP) map and determination of the dual descriptor showed that nitrogen N13, sulfur S5 and carbons C19 and C21 are nucleophilic. They are therefore susceptible to electrophilic attack. The nitrogens N2, N3 and N14 are shared between electrophilic and nucleophilic sites. The study of the chemical reactivity of our compounds was carried out based on the analysis of molecular frontier orbitals (HOMO and LUMO), energy gap (ΔƐ), chemical hardness (η), electrophilicity (ω) and chemical softness (S). Compound 1 was found to be the most stable, the least reactive and electron-donating. This study also opens up a new way of synthesizing biologically active molecules by modulating the C19 carbon with inductive electroattractant groups. Keywords: Benzimidazole, Imidazole, DFT, ESP, reactivity, stability.

Chemiexcitation Acceleration of 1,2-Dioxetanes by Spiro-Fused Six-Member Rings with Electron-Withdrawing Motifs.

The chemiluminescent light-emission pathway of phenoxy-1,2-dioxetane luminophores attracts growing interest within the scientific community. Dioxetane probes undergoing rapid flash-type chemiexcitation exhibit higher detection sensitivity than those with a slow glow-type chemiexcitation rate. We discovered that dioxetanes fused to non-strained six-member rings, with hetero atoms or inductive electron-withdrawing groups, present both accelerated chemiexcitation rates and elevated chemical stability compared to dioxetanes fused to four-member strained rings. DFT computational simulations supported the chemiexcitation acceleration observed by spiro-fused six-member rings with inductive electron-withdrawing groups of dioxetanes. Specifically, a spiro-dioxetane with a six-member sulfone ring exhibited a chemiexcitation rate 293-fold faster than that of spiro-adamantyl-dioxetane. A turn-ON dioxetane probe for the detection of the enzyme β-galactosidase, containing the six-member sulfone unit, exhibited a S/N value of 108 in LB cell growth medium. This probe demonstrated a substantial increase in detection sensitivity towards E. coli bacterial cells expressing β-galactosidase, with an LOD value that is 44-fold more sensitive than that obtained by the adamantyl counterpart. The accelerated chemiexcitation and the elevated chemical stability presented by dioxetane containing a spiro-fused six-member ring with a sulfone inductive electron-withdrawing group, make it an ideal candidate for designing efficient turn-on chemiluminescent probes with exceptionally high detection sensitivity.

Multiplicative Characters and Gaussian Fluctuation Limits

It is known that extreme characters of several inductive limits of compact groups exhibit multiplicativity in a certain sense. In the paper, we formulate such multiplicativity for inductive limit quantum groups and provide explicit examples of multiplicative characters in the case of quantum unitary groups. Furthermore, we show a Gaussian fluctuation limit theorem using this concept of multiplicativity.

Synthesis and spectral properties of symmetrically arylated BODIPY dyes: Experimental and computational approach

In this study, a series of symmetrically arylated BODIPY dyes were synthesized using a pre-functionalization method, and their structures were characterized by several spectroscopic methods. The relationship between the aryl substitution pattern and the photophysical and electrochemical properties of the dyes was investigated using experimental and computational methods. It was found that electron-donating π-conjugated groups at the meso position and electron-accepting π-conjugated groups at the C3/C5 position led to blue-shifted spectra, while the opposite substitution pattern resulted in red-shifted spectra. Additionally, inductive electron-donating alkyl groups at the meso position produced a blue spectral shift and an alkyl group at the meso position significantly increased the fluorescence quantum yield compared to the arylated counterparts. Computational investigations revealed that a thioanisyl group at the C3/C5 position resulted in a significantly narrow band gap. These results provide valuable insights into the design and development of new BODIPY dyes with tailored properties for various applications.

EFFECTIVENESS OF DEDUCTIVE AND INDUCTIVE METHODS IN TEACHING GRAMMAR IN LANGUAGE LEARNING CLASSROOM AT ELEMENTARY LEVEL

Importance of teaching grammar has been one of the most debated topics both among language learners and language teachers. Having agreed that grammar is important, researchers and educators have been arguing over which method should be used while teaching grammar. This empirical research investigates comparative effectiveness of inductive and deductive methods in teaching grammar at elementary level. 2 groups of 15 pupils who are studying at 5th grade has been chosen to answer the research questions. The researcher used pre-test and post-test as a research instrument. The result of the study showed that there is no significant statistical difference among grammar performance of both deductive and inductive groups.

The Effects of Deductive and Inductive Grammar Instructions in Communicative Teaching

A quasi-experimental study investigated the effectiveness of inductive and deductive types of instruction in the acquisition of a complex grammatical structure, the passive voice. The participants were two groups (n = 34) of second-year Japanese students from a vocational school who had three treatment lessons designed for each group embedded into the course curriculum. The quantitative and qualitative data were gathered to seek possible connections between students’ preferences and learning gains. Using a pretest and posttest design, we compared the results of recognition and production tests for inductive and deductive instruction groups. Both types of instructions were found beneficial for learners and yielded a significant effect between the production part of the pre- and post-tests, however, the inductive group significantly outperformed the deductive group on the recognition test. The qualitative data indicated students’ preferences toward deductive instruction, as it is traditional and well-known in Japan. The results of the study suggest using the inductive type of instruction with simpler grammar and deductive instruction with more complex grammatical structures. The authors advocate the importance of practicing both types of instructions. The study also shows the benefits of using CLT for teaching English in Japan. 

Projective representations and spin characters of complex reflection groups G(m,p,n) and G(m,p,∞), III

This paper is a continuation of two previous papers in MSJ Memoirs, Vol.\,29 (Math. Soc. Japan, 2013) with the same title and numbered as I and II. Based on the hereditary property given there, from mother groups $G(m,1,n)$, the generalized symmetric groups, to child groups $G(m,p,n)$, the complex reflection groups, we study in detail classification and construction of irreducible projective representations (= spin representations) and their characters of $G(m,1,n)$ for $n$ finite. Then, taking limits as $n$ tends to infinity, we obtain spin characters of the inductive limit groups $G(m,1,\infty)$. By the heredity studied further, this gives the main kernel of the results for $G(m,p,\infty)$ with $p|m, p>1$.

Infinite-dimensional groups over finite fields and Hall-Littlewood symmetric functions

The groups mentioned in the title are certain matrix groups of infinite size with elements in a finite field Fq. They are built from finite classical groups and at the same time they are similar to reductive p-adic Lie groups. In the present paper, we initiate the study of invariant measures for the coadjoint action of these infinite-dimensional groups. Of special interest for us are ergodic invariant measures, which are a substitute of orbital measures.We examine first the group GLB, a topological completion of the inductive limit group lim→GL(n,Fq). The traceable factor representations of GLB were studied by Gorin, Kerov, and Vershik (2014) [12]. We show that there exists a parallel theory for ergodic coadjoint-invariant measures, which is linked with harmonic functions on the “HL-deformed Young graph” YHL(t). Here the deformation means that the edges of the Young graph Y are endowed with certain formal multiplicities depending on the Hall-Littlewood (HL) parameter t specialized to q−1.This fact serves as a prelude to our main results, which concern topological completions of two inductive limit groups built from finite unitary groups, of even and odd dimension. We show that in this case, coadjoint-invariant measures are linked to some new branching graphs. They are still related to the HL symmetric functions, but in a nonstandard way, and the HL parameter t takes now the negative value −q−1. As an application, we find several families of unitarily invariant measures, including analogues of the Plancherel measure.

Racing to a staffing solution: an investigation into the current staffing crisis within the UK horseracing industry

The British Horseracing Industry has been experiencing a labour shortage since the 1970’s and despite recent improvements reported in staff retainment, the industry still reports high staff turnover. We investigated staffing challenges experienced by UK horseracing employers and employees, to formulate strategic targets to address any issues identified. Thirty UK trainers and staff (12 staff, 9 senior staff, 9 trainers) participated in semi-structured inductive focus groups lasting on average 39±9 min. Questions explored staff background in racing, perceptions of the current staff challenges, retention and recommendations for improvement. Thematic analysis revealed four higher order themes; (1) lack of skills, (2) differences in perceived work ethic, (3) job conditions, and (4) media portrayal. This study concluded that there are dedicated staff working in the industry, but significant skills gaps, high workloads, poor work-life balance and a lack of training and career progression negatively influence retention in the horseracing industry.

Study on the influence of inductive groups on the performance of carboxylate-based hydrogel polymer network

We report study on the effect of Br and CH3 inductive groups on the loading capacity of carboxylate-based hydrogel adsorbent. Synthesized sodium acrylate (NaAc) and 2-Bromoacrylic acid (BrAc) copolymer hydrogels for metal ion capture were characterized using FTIR, UV–Vis, 13C NMR, and DSC methods for structural and functional properties. Both FTIR and UV–Vis spectra indicated formation of a charge transfer complex between Br, CH3 groups and the carbonyl (C═O) group whereas solid-state NMR evidenced Br group appearance as an appendage on hydrogel backbone. By incorporating Br group on the hydrogel matrix and consequently exploiting the high electronegativity potential and inductive effect chemistry of this group, there was a significant increase in dissociation of H+ ions and hence higher loading capacity of carboxylate group. This facilitated higher ion exchange ability, resulting in up to 4 times increase in adsorption capacity during adsorption from multi-element metal ion competitive solution. Separately, when applied on single ion non-competitive solution, its adsorption capacity on vanadium increased three-fold from 119 mg/g to 373 mg/g due to the effect of Br group. However, the CH3 had a negating effect instead lowering the adsorption capacity (below 119 mg/g); while also caused lower swelling ratio of carboxylate-functionalized hydrogel adsorbents.

N-Cinnamoylanthranilates as human TRPA1 modulators: Structure-activity relationships and channel binding sites

The transient receptor potential ankyrin 1 (TRPA1) channel is a non-selective cation channel, which detects noxious stimuli leading to pain, itch and cough. However, the mechanism(s) of channel modulation by many of the known, non-reactive modulators has not been fully elucidated. N-Cinnamoylanthranilic acid derivatives (CADs) contain structural elements from the TRPA1 modulators cinnamaldehyde and flufenamic acid, so it was hypothesized that specific modulators could be found amongst them and more could be learnt about modulation of TRPA1 with these compounds. A series of CADs was therefore screened for agonism and antagonism in HEK293 cells stably transfected with WT-human (h)TRPA1, or C621A, F909A or F944A mutant hTRPA1. Derivatives with electron-withdrawing and/or electron-donating substituents were found to possess different activities. CADs with inductive electron-withdrawing groups were agonists with desensitising effects, and CADs with electron-donating groups were either partial agonists or antagonists. Site-directed mutagenesis revealed that the CADs do not undergo conjugate addition reaction with TRPA1, and that F944 is a key residue involved in the non-covalent modulation of TRPA1 by CADs, as well as many other structurally distinct non-reactive TRPA1 ligands already reported.

The effect of the inductive and deductive data-driven learning (DDL) on vocabulary acquisition and retention

Research on data-driven learning (DDL) has generally suggested that DDL can facilitate second/foreign language learning due to its inductive nature and authentic language samples that provide learners with opportunity of deep and discovery learning. One major obstacle that prevents learners from such benefits lies in the cognitive load that such learning might induce. Limitations of DDL such as this have resulted in a call for more studies that examine the differential effect of inductive and more traditionally, deductive approach in DDL-based ESL/EFL instruction. The present study compared the effect of the deductive and inductive approaches in a DDL context on vocabulary acquisition and retention. A total of 27 EFL learners were randomly divided into deductive and inductive groups making use of the Corpus of Contemporary American English (COCA) to learn eight target words. A modified version of the Vocabulary Knowledge Scale (VKS; Paribakht & Wesche, 1997) was used to assess the students' learning of word form, meaning, and use before, immediately after, and 2 weeks after the treatment instruction. Furthermore, the two groups' performances on the pre-test and immediate post-test were analyzed to scrutinize their change in vocabulary knowledge. The results showed that both approaches were equally effective in terms of facilitating the learners' vocabulary acquisition and retention. Furthermore, the inductive and deductive groups showed similar patterns of the acquisition of target words: their knowledge of words generally moved to a higher level, and seldom stayed at the same level or moved to a lower level. The result that deductive DDL was just as effective as the inductive approach but less time-consuming might suggest that the deductive approach could complement DDL more efficiently when the DDL's inductive nature prevents learners from fully benefiting from its potential advantages.

Alternaria alternata acts on human Monocyte-derived Dendritic cells to mediate Th2/Th17 polarisation

IntroductionAlthough the mechanism of asthma is not precisely understood in humans, clinical and epidemiological studies have offered a potential relationship between exposure to environmental fungi, such as Alternaria alternata (A. alternata) and the development and exacerbation of asthma. The aim of this project is to investigate the mechanisms of Th2 responses by A. alternata as a clinically relevant model for the environmental exposure. Materials and methodsPlastic adherent monocytes were cultured with granulocyte macrophage colony stimulating factor (GM-CSF) and interleukin-4 (IL-4) to convert these cells into Monocyte-derived Dendritic cells (MoDc) and then matured in the presence of Monocyte-Conditioned Medium (MCM) as the control group and MCM+ A. alternata extract as the inductive groups. ResultsThe results indicated that the expression of CD14 decreased and CD83 and anti-human leukocyte antigen-DR (HLA-DR) increased in the inductive groups in comparison with the control group. More importantly, A. alternata inhibited IL-12 production by activated dendritic cells (DCs), and the DCs exposed to A. alternata enhanced the Th2 polarisation of CD4+ T cells. The production amount of IL-10 overcame IL-12 as well as Il-23 increased significantly, and hand in T cells the production of cytokines Interferon-γ (IFN-γ) decreased. However, both IL-17 and IL-4 increased (p<0.05). Phagocytic activity in the inductive groups decreased significantly compared with the control group. ConclusionThe asthma-related environmental fungus A. alternata, with an effect on dendritic cells profile mediates TH2/TH17. Such immunodysregulation properties of causative environmental fungi may explain their strong relationship with human asthma and allergic diseases.

Duality theorem for inductive limit groups

In this paper, we show the so-called weak duality theorem of Tannaka type for an inductive limit–type topological group G=lim n→∞Gn in the case where each Gn is a locally compact group, and Gn is embedded into Gn+1 homeomorphically as a closed subgroup. First, we explain what a weak duality theorem of Tannaka type is and explain the difference between the case of locally compact groups and the case of nonlocally compact groups. Then we introduce the concept “separating system of unitary representations (SSUR),” which assures the existence of sufficiently many unitary representations. The present G has an SSUR. We prove that G is complete. We give semiregular representations and their extensions for G. Using them, we deduce a fundamental formula about “birepresentation” on G. Combining these results, we can prove the weak duality theorem of Tannaka type for G.

Quantum chemical studies on tuning the second-order nonlinear optical molecular switching of triarylborane derivatives

In this work, density functional theory (DFT) combined with the finite field (FF) method has been adopted to analyze the second-order nonlinear optical (NLO) properties of the triarylborane (TAB) derivatives obtained by introducing different inductive electron groups into the phenylene ring of the TAB (RTAB, where R=2-C6H5-C2B10H10(1), R=F(2), R=Me(3), R=NO2(4), R=NH2(5)). The static first hyperpolarizabilities (β tot) of the RTAB molecules can be switched by binding one F− to the boron center (RTAB′) or one-electron reduction (RTAB″). The DFT-FF calculations show that the β tot values of 2′, 3′ and 5′ decrease while those of 1′ and 4′ increase compared with the values of their neutral molecules, which was attributed to the fact that the charge transfers of 3 and 5 become smaller and those of 1 and 4 become larger by binding one F− ion to the boron center, according to time-domain DFT (TD-DFT) analysis. However, the incorporation of one electron enhances the second-order NLO properties of the RTAB molecules remarkably, especially for system 1. It is notable that the β tot value of reduced form 1″ is 508.69×10−30 esu, i.e. abou 578 times larger than that of system 1. Frontier molecular orbital (FMO) and natural bond orbital (NBO) analyses suggest that the reversal of the charge distribution between the neutral molecules and their reduced forms leads to low HOMO-LUMO energy gaps (E 0) and thus large β tot values for the reduced forms.

The Effectiveness of Teaching Reference Words Using Two Strategies

In achieving good reading comprehension, the ability to recognize and use reference words and phrases in texts is essential From informal observations, it has frequently been found that one of the major hurdles in comprehending texts is th recognition of words and phrases that refer to the same idea which traditionally have been called ‘reference words’ o referential expressions. The objectives of this research are to analyze and compare pedagogical approaches and strategies fo teaching reference words to MUET Band 3 students in reading. The study indicates that for most of the referent words an phrases, and hence for overall performance, both the deductive and inductive groups did equally well. However, a mor detailed analysis revealed that the few referential expressions in which the deductive group did much better are those tha require a more mechanical application of rules whereas the few that the inductive group did significantly better are those tha require a more challenging processing of the information in the article.

Data management for intervention effectiveness research: Comparing deductive and inductive approaches

Management approaches are needed to prepare intervention data sets for research. We identified four management approaches and applied them to Omaha System intervention data from 15 home care agencies (621,385 interventions provided to 2,862 patients). Classifying intervention data created differing numbers of distinct groups for deductive approaches labeled as action category (four groups), theoretical (5), and clinical expert consensus (23). One inductive, data-driven approach generated 150 groups of interventions, of which 24 were meaningful and unique. Interventions in deductive groups were mutually exclusive, and approaches mapped readily according to intervention action terms. The novel, overlapping, inductive groups consisted of diverse actions for multiple problems. The four management approaches created meaningful intervention groups to be employed in future outcomes evaluation studies.

Self-Process-Programmed Structural Diversity in Supramolecular Assembly Based on Polyoxometalate Anion and Halogensubstituted Bipyridine Cation

To investigate the relationship between network connectivity and the types of anions and cations, we synthesized a series of supramolecular assemblies based on different polyoxometalate (POM) anions and halogen-substituted bipyridine cations, namely, (Hcpy)6H2[PMo12O40] (1), (Hcpy)3[PMo12O40]·2.2H2O (2), (Hcpy)2(Hbppy)2[PMo12O40]·2H2O (3), (Hcpy)2(Hbppy)H2[PMo12O40]·H2O (4), (Hbppy)4[GeW12O40]·3H2O (5), (Hbppy)4[β-Mo8O26] (6), and (H6/7bppy)7[P2W18O60]·5H2O (7) (cpy = 4-(5-chloropyridin-2-yl)pyridine and bppy = 4-(5-(4-bromophenyl)pyridin-2-yl)pyridine). These compounds have been structurally characterized by elemental analyses, IR spectra, thermogravimatric analysis, and X-ray crystallography. All supramolecular frameworks of 1−7 are guided by nonconvalent interactions, especially directional hydrogen bonds and halogen bonds. Research results reveal that decorating nitrogen heterocycles with inductive electron withdrawal halogen groups increases the tendency to form face-to-face π-stacking interactions between them. Anionic clusters also present different and interesting structural features: in 1 and 5 Keggin-type anions form a one-dimensional pillar-like structure, while forming a two-dimensional waved sheet in 4, and only isolated clusters in 2 and 3. Compounds 1−5 consist of Keggin-type clusters with different organic cpy and bppy cations. Complex 6 is a supramolecular assembly based on [β-Mo8O26]4− and bppy, whereas complex 7 is an assembly containing Dawson-type clusters in which anions allow the assembly of bppy cations into distorted-wave organic layers. These results show that the types and ratios of cations and anions play significant roles in fabricating inorganic−organic arrangements. The thermal and electrochemistry properties of these compounds are discussed.

Structure−Property Relationships of Fluorinated Donor/Acceptor Tetrakis(phenylethynyl)benzenes and Bis(dehydrobenzoannuleno)benzenes

Nine new bisdonor/bisacceptor-functionalized tetrakis(phenylethynyl)benzene (TPEB) and six new bis(dehydrobenzoannuleno)benzene (DBA) chromophores have been synthesized. The compounds consist of electron-donating dibutylaniline groups connected through a conjugated phenyl-acetylene scaffold to benzotrifluoride, bis(trifluoromethyl)phenyl, or pentafluorophenyl acceptor groups. In comparison to previously reported analogues utilizing nitrophenyl or benzonitrile acceptor groups, the weaker acceptor groups exhibit visibly fluorescent intramolecular charge transfer (ICT) behavior, moderately narrow optical band gaps, moderately high quantum yields, and strong fluorescence solvatochromism. In this series of molecules, the strongly inductive fluoro acceptor groups result in optical properties similar to the resonance acceptor analogues, making them promising candidates for optical materials device components. The data also support recent investigations that question the utility of using UV/vis spectroscopy alone as a qualitative measure of conjugation. The bisDBAs exhibit weaker ICT behavior and self-association in solution than their corresponding nitro analogues, but show greater stability to decomposition via polymerization and smaller optical band gaps than their acyclic analogues.

Photoassisted dehalogenation and mineralization of chloro/fluoro-benzoic acid derivatives in aqueous media

The photoassisted dehalogenation and mineralization of chloro/fluoro-benzoic acid derivatives occurring at the TiO 2/H 2O interface under oxygen-saturated and UV-light exposure were examined by UV absorption spectroscopy, ion chromatography and time-of-flight (TOF) mass spectrometry to identify intermediate products. Contrary to defluorination, dechlorination occurred readily, presumably because of the weaker C Cl bond relative to the C F bond. Photodegradation through aromatic ring cleavage also occurred fairly rapidly followed by the ultimate evolution of CO 2 gas through prior formation of formate and bicarbonate species. When negative inductive effect groups, such as the chloro and fluoro groups, are positioned ortho and para to the carboxylic acid group, as in the 2Cl–4F–BA, 2Cl–6F–BA, and 4Cl–2F–BA derivatives, dechlorination was faster than when the chloro group was meta to the carboxylic acid group. Theoretically calculated frontier election densities and point charges of all the atoms in the Cl/F–BA derivatives are given. Plausible steps in the photo-degradation/-mineralization of these substrates are discussed.