Articoli di riviste: "EDA complex"

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Sima, Jian, Zhijiang Yan, Yaohui Chen, Elin Lehrmann, Yongqing Zhang, Ramaiah Nagaraja, Weidong Wang, Zhong Wang e David Schlessinger. "Eda-activated RelB recruits an SWI/SNF (BAF) chromatin-remodeling complex and initiates gene transcription in skin appendage formation". Proceedings of the National Academy of Sciences 115, n. 32 (23 luglio 2018): 8173–78. http://dx.doi.org/10.1073/pnas.1800930115.

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Ectodysplasin A (Eda) signaling activates NF-κB during skin appendage formation, but how Eda controls specific gene transcription remains unclear. Here, we find that Eda triggers the formation of an NF-κB–associated SWI/SNF (BAF) complex in which p50/RelB recruits a linker protein, Tfg, that interacts with BAF45d in the BAF complex. We further reveal that Tfg is initially induced by Eda-mediated RelB activation and then bridges RelB and BAF for subsequent gene regulation. The BAF component BAF250a is particularly up-regulated in skin appendages, and epidermal knockout of BAF250a impairs skin appendage development, resulting in phenotypes similar to those of Eda-deficient mouse models. Transcription profiling identifies several target genes regulated by Eda, RelB, and BAF. Notably, RelB and the BAF complex are indispensable for transcription of Eda target genes, and both BAF complex and Eda signaling are required to open chromatin of Eda targets. Our studies thus suggest that Eda initiates a signaling cascade and recruits a BAF complex to specific gene loci to facilitate transcription during organogenesis.

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Dutt, Shantanu, Dinesh Mehta e Gi-Joon Nam. "New Algorithmic Techniques for Complex EDA Problems". VLSI Design 2014 (27 aprile 2014): 1–2. http://dx.doi.org/10.1155/2014/134946.

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Asaad, Adel N., e Gunnar Aksnes. "Kinetics and Mechanism of the 2+ 2 Cycloaddition of Tetracyanoethylene to 2,5-Dimethyl-2,4-Hexadiene". Zeitschrift für Naturforschung A 43, n. 5 (1 maggio 1988): 435–41. http://dx.doi.org/10.1515/zna-1988-0507.

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The kinetics of the 2 + 2 cycloaddition reaction between tetracyanoethylene and 2,5-dimethyl- 2,4-hexadiene in different solvents has been studied by following the disappearance of the intermediate EDA-complex spectrophotometrically. It is concluded that the EDA-complex is transformed through a concerted cyclicpolar transition state to give the vinyl cyclobutane derivative (III). The effects of various solvents on the reaction rates have been analysed using a multiparameter approach. The thermodynamic parameters (ΔH0 and ΔS0), of EDA-complex formation and the activation parameters (ΔH# and ΔS#) of the cycloaddition have been discussed.

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Yang, Zhonglie, Yutong Liu, Kun Cao, Xiaobin Zhang, Hezhong Jiang e Jiahong Li. "Synthetic reactions driven by electron-donor–acceptor (EDA) complexes". Beilstein Journal of Organic Chemistry 17 (6 aprile 2021): 771–99. http://dx.doi.org/10.3762/bjoc.17.67.

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The reversible, weak ground-state aggregate formed by dipole–dipole interactions between an electron donor and an electron acceptor is referred to as an electron-donor–acceptor (EDA) complex. Generally, upon light irradiation, the EDA complex turns into the excited state, causing an electron transfer to give radicals and to initiate subsequent reactions. Besides light as an external energy source, reactions involving the participation of EDA complexes are mild, obviating transition metal catalysts or photosensitizers in the majority of cases and are in line with the theme of green chemistry. This review discusses the synthetic reactions concerned with EDA complexes as well as the mechanisms that have been shown over the past five years.

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Liu, Lu, Robert M. Ward e Jennifer M. Schomaker. "Regioselective Intramolecular Allene Amidation Enabled by an EDA Complex**". Chemistry – A European Journal 26, n. 61 (ottobre 2020): 13783–87. http://dx.doi.org/10.1002/chem.202002533.

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Theuerkauf, Martin, e John Couwenberg. "The extended downscaling approach: A new R-tool for pollen-based reconstruction of vegetation patterns". Holocene 27, n. 8 (1 dicembre 2016): 1252–58. http://dx.doi.org/10.1177/0959683616683256.

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The extended downscaling approach (EDA) is a quantitative method in palynology that aims to detect past vegetation patterns and communities in the landscape. The EDA uses iterative forward modelling to fit vegetation composition to robust landscape patterns by comparing simulated with actually observed pollen deposition. The approach employs a set of pollen records, preferably from medium sized to large lakes or peatlands, as well as maps of robust landscape patterns, such as soils and relief. So far, the EDA has been applied in simple settings with only few taxa. To be able to apply the model also in more complex situations, we have implemented the EDA in the R environment for statistical computing. We here test the performance of the EDAinR function in five synthetic scenarios of increasing complexity. In all cases, the EDA is well able to reconstruct vegetation composition, also on rare landscape units. If uncertainty is added both to the pollen data and pollen productivity estimates, the EDA still correctly reconstructs species composition on more than 90% of the total landscape in all scenarios, underlining that the EDA performs well also in complex settings. The EDAinR function will be available within the R package DISQOVER.

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Kwiecień, Anna, Jana Ruda-Kucerova, Kamil Kamiński, Zuzana Babinska, Iwona Popiołek, Krzysztof Szczubiałka, Maria Nowakowska e Maria Walczak. "Improved Pharmacokinetics and Tissue Uptake of Complexed Daidzein in Rats". Pharmaceutics 12, n. 2 (16 febbraio 2020): 162. http://dx.doi.org/10.3390/pharmaceutics12020162.

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The pharmacokinetic profile and tissue uptake of daidzein (DAI) was determined in rat serum and tissues (lungs, eyes, brain, heart, spleen, fat, liver, kidney, and testes) after intravenous and intraperitoneal administration of DAI in suspension or complexed with ethylenediamine-modified γ-cyclodextrin (GCD-EDA/DAI). The absolute and relative bioavailability of DAI suspended (20 mg/kg i.v. vs. 50 mg/kg i.p.) and complexed (0.54 mg/kg i.v. vs. 1.35 mg/kg i.p.) was determined. After i.p. administration, absorption of DAI complexed with GCD-EDA was more rapid (tmax = 15 min) than that of DAI in suspension (tmax = 45 min) with a ca. 3.6 times higher maximum concentration (Cmax = 615 vs. 173 ng/mL). The i.v. half-life of DAI was longer in GCD-EDA/DAI complex compared with DAI in suspension (t0.5 = 380 min vs. 230 min). The volume of distribution of DAI given i.v. in GCD-EDA/DAI complex was ca. 6 times larger than DAI in suspension (38.6 L/kg vs. 6.2 L/kg). Our data support the concept that the pharmacokinetics of DAI suspended in high doses are nonlinear. Increasing the intravenous dose 34 times resulted in a 5-fold increase in AUC. In turn, increasing the intraperitoneal dose 37 times resulted in a ca. 2-fold increase in AUC. The results of this study suggested that GCD-EDA complex may improve DAI bioavailability after i.p. administration. The absolute bioavailability of DAI in GCD-EDA inclusion complex was ca. 3 times greater (F = 82.4% vs. 28.2%), and the relative bioavailability was ca. 21 times higher than that of DAI in suspension, indicating the need to study DAI bioavailability after administration by routes other than intraperitoneal, e.g., orally, subcutaneously, or intramuscularly. The concentration of DAI released from GCD-EDA/DAI inclusion complex to all the rat tissues studied was higher than after administration of DAI in suspension. The concentration of DAI in brain and lungs was found to be almost 90 and 45 times higher, respectively, when administered in complex compared to the suspended DAI. Given the nonlinear relationship between DAI bioavailability and the dose released from the GCD-EDA complex, complexation of DAI may thus offer an effective approach to improve DAI delivery for treatment purposes, for example in mucopolysaccharidosis (MPS), allowing the reduction of ingested DAI doses.

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Jeliński, Tomasz, Maciej Przybyłek, Magdalena Mianowana, Kinga Misiak e Piotr Cysewski. "Deep Eutectic Solvents as Agents for Improving the Solubility of Edaravone: Experimental and Theoretical Considerations". Molecules 29, n. 6 (12 marzo 2024): 1261. http://dx.doi.org/10.3390/molecules29061261.

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In this study, both practical and theoretical aspects of the solubility of edaravone (EDA) in Deep Eutectic Solvents (DESs) were considered. The solubility of edaravone in some media, including water, can be limited, which creates the need for new efficient and environmentally safe solvents. The solubility of EDA was measured spectrophotometrically and the complex intermolecular interactions within the systems were studied with the COSMO-RS framework. Of the four studied DES systems, three outperformed the most efficient classical organic solvent, namely dichloromethane, with the DES comprising choline chloride and triethylene glycol, acting as hydrogen bond donor (HBD), in a 1:2 molar proportion yielding the highest solubility of EDA. Interestingly, the addition of a specific amount of water further increased EDA solubility. Theoretical analysis revealed that in pure water or solutions with high water content, EDA stacking is responsible for self-aggregation and lower solubility. On the other hand, the presence of HBDs leads to the formation of intermolecular clusters with EDA, reducing self-aggregation. However, in the presence of a stoichiometric amount of water, a three-molecular EDA–HBD–water complex is formed, which explains why water can also act as a co-solvent. The high probability of formation of this type of complexes is related to the high affinity of the components, which exceeds all other possible complexes.

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Lin, Li, Zhonglie Yang, Jianchen Liu, Jingxia Wang, Jiale Zheng, Jun-Long Li, Xiaobin Zhang, Xiang-Wei Liu, Hezhong Jiang e Jiahong Li. "Visible-light-induced surfactant-promoted sulfonylation of alkenes and alkynes with sulfonyl chloride by the formation of an EDA-complex with NaI in water at room temperature". Green Chemistry 23, n. 15 (2021): 5467–73. http://dx.doi.org/10.1039/d1gc00956g.

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We report an efficient visible-light-induced iodosulfonyl reaction of alkenes in water using an EDA complex strategy at room temperature. The addition of a cationic surfactant allows for the easy formation of colored EDA complexes in water.

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Visnovcova, Zuzana, Lucia Bona Olexova, Nikola Sekaninova, Igor Ondrejka, Igor Hrtanek, Dana Cesnekova, Simona Kelcikova, Ivan Farsky e Ingrid Tonhajzerova. "Spectral and Nonlinear Analysis of Electrodermal Activity in Adolescent Anorexia Nervosa". Applied Sciences 10, n. 13 (29 giugno 2020): 4514. http://dx.doi.org/10.3390/app10134514.

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Anorexia nervosa (AN) is an eating disorder with increasing prevalence in childhood and adolescence. Sympathetic dysregulation is supposed to be the underlying mechanism of increased cardiovascular risk in AN. Thus, we assess the electrodermal activity (EDA) as a non-invasive index of sympathetic cholinergic activity using linear and nonlinear analysis in adolescent AN with the aim of detecting potential biomarkers for AN-linked cardiovascular risk. We examined 25 adolescent girls with AN and 25 age-matched controls. EDA was continuously recorded during a 5-min resting phase. Evaluated parameters were: time-domain (skin conductance level, non-specific skin conductance responses), frequency-domain (EDA in very low, low, sympathetic, high and very high frequency bands) and nonlinear (approximate, sample, symbolic information entropies, detrended fluctuation analysis (DFA)) parameters of EDA and peripheral skin temperature. Our findings revealed lower EDA values indicating a decrease in the sympathetic nervous activity in female adolescents with the acute phase of AN. Further, we found higher nonlinear index DFA in AN vs. controls. We assumed that nonlinear index DFA could provide novel and independent information on the complex sympathetic regulatory network. We conclude that the parameters of complex EDA analysis could be used as sensitive biomarkers for the assessment of sympathetic cholinergic dysregulation as a risk factor for AN-linked cardiovascular morbidity.

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Lavezzo, Laura, Andrea Gargano, Enzo Pasquale Scilingo e Mimma Nardelli. "Zooming into the Complex Dynamics of Electrodermal Activity Recorded during Emotional Stimuli: A Multiscale Approach". Bioengineering 11, n. 6 (21 maggio 2024): 520. http://dx.doi.org/10.3390/bioengineering11060520.

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Physiological phenomena exhibit complex behaviours arising at multiple time scales. To investigate them, techniques derived from chaos theory were applied to physiological signals, providing promising results in distinguishing between healthy and pathological states. Fractal-like properties of electrodermal activity (EDA), a well-validated tool for monitoring the autonomic nervous system state, have been reported in previous literature. This study proposes the multiscale complexity index of electrodermal activity (MComEDA) to discern different autonomic responses based on EDA signals. This method builds upon our previously proposed algorithm, ComEDA, and it is empowered with a coarse-graining procedure to provide a view at multiple time scales of the EDA response. We tested MComEDA’s performance on the EDA signals of two publicly available datasets, i.e., the Continuously Annotated Signals of Emotion (CASE) dataset and the Affect, Personality and Mood Research on Individuals and Groups (AMIGOS) dataset, both containing physiological data recorded from healthy participants during the view of ultra-short emotional video clips. Our results highlighted that the values of MComEDA were significantly different (p-value < 0.05 after Wilcoxon signed rank test with Bonferroni’s correction) when comparing high- and low-arousal stimuli. Furthermore, MComEDA outperformed the single-scale approach in discriminating among different valence levels of high-arousal stimuli, e.g., showing significantly different values for scary and amusing stimuli (p-value = 0.024). These findings suggest that a multiscale approach to the nonlinear analysis of EDA signals can improve the information gathered on task-specific autonomic response, even when ultra-short time series are considered.

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Murray, Elizabeth L., e Tyrrell Conway. "Multiple Regulators Control Expression of the Entner-Doudoroff Aldolase (Eda) of Escherichia coli". Journal of Bacteriology 187, n. 3 (1 febbraio 2005): 991–1000. http://dx.doi.org/10.1128/jb.187.3.991-1000.2005.

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ABSTRACT The Escherichia coli eda gene, which encodes the Entner-Doudoroff aldolase, is central to the catabolism of several sugar acids. Here, we show that Eda synthesis is induced by growth on gluconate, glucuronate, or methyl-β-d-glucuronide; phosphate limitation; and carbon starvation. Transcription of eda initiates from three promoters, designated P1, P2, and P4, each of which is responsible for induction under different growth conditions. P1 controls eda induction on gluconate and is regulated by GntR. P2 controls eda induction on glucuronate and galacturonate and is regulated by KdgR. P4 is active under conditions of phosphate starvation and is directly controlled by PhoB. In addition, CsrA activates Eda synthesis, apparently by an indirect mechanism that may be involved in the modest changes in expression level that are associated with carbon starvation. The complex regulation of eda is discussed with respect to its several physiological roles, which apparently accommodate not only sugar acid catabolism but also detoxification of metabolites that could accumulate during starvation-induced stress.

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Ma, X. Y., B. Wang e E. J. Gao. "SYNTHESIS, STRUCTURE AND ELECTROCHEMICAL PROPERTIES OF COPPER(II) COMPLEX WITH 3-PHENYLPROPYLMALONIC ACID". Журнал структурной химии 65, n. 5 (2024): 127050. http://dx.doi.org/10.26902/jsc_id127050.

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A 0D Cu-based complex {[(Complex 1, Complex 1 = Cu(L)2(EDA)2]n, L = 3-phenylpropylmalonic acid, EDA = ethylenediamine) was synthesized by solvent-thermal synthesis using 3-phenylpropylmalonic acid as the ligands. It is characterized and analyzed by PXRD, infrared spectrum, ultraviolet diffuse reflection spectrum and other means. Complex 1 is crystallized in triclinic crystal system with space group P-1, and each Cu2+ was coordinated with two ligands and a water molecule, respectively. Cyclic voltammogram curve of Complex 1 modified electrode (1+CPE) was tested in the PBS buffer solution (pH = 6.5), which found a pair of belong to Cu(Ⅱ)/Cu(Ⅰ) reversible redox peaks, proved that the Complex 1 can be used in the electrochemical applications.

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Ghosh, Soumen, Gautam Kumar, Naveen Naveen, Suman Pradhan e Indranil Chatterjee. "EDA complex directed N-centred radical generation from nitrosoarenes: a divergent synthetic approach". Chemical Communications 55, n. 90 (2019): 13590–93. http://dx.doi.org/10.1039/c9cc07277b.

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Chen, Wei. "Design and Improvement of Digital Communication System Based on EDA Platform". Journal of Physics: Conference Series 2396, n. 1 (1 dicembre 2022): 012052. http://dx.doi.org/10.1088/1742-6596/2396/1/012052.

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Abstract The design of digital circuit systems based on EDA tools can greatly improve design efficiency. In this paper, a multi-mode communication signal modulation and demodulation system are designed with FPGA as the hardware carrier. Furthermore, this paper puts forward a teaching and experimental scheme of communication circuits, that is, using the EDA platform to realize different modulation and demodulation modes. The advantage of this scheme is that it can not only be realized in hardware, but also can analyze the performance accurately and that the waveform is intuitive. This scheme can make students feel the advantages of EDA Technology in complex logic circuit design. Students can understand new communication modes deeply by using EDA technology.

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Lim, B. T., S. Okajima e E. C. Lim. "Spectroscopic and dynamical differences between exciplex and electronically excited EDA complex". Journal of Chemical Physics 84, n. 3 (febbraio 1986): 1937–39. http://dx.doi.org/10.1063/1.450446.

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Sopov, E. "Hybrid binary GA-EDA algorithms for complex “black-box” optimization problems". IOP Conference Series: Materials Science and Engineering 173 (febbraio 2017): 012019. http://dx.doi.org/10.1088/1757-899x/173/1/012019.

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Snyder, R., W. Trotter e A. C. Testa. "Phosphorescence from an EDA complex with nitrobenzene as an electron donor". Journal of Luminescence 33, n. 3 (maggio 1985): 327–32. http://dx.doi.org/10.1016/0022-2313(85)90007-9.

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Pelzl, G., M. Novak, W. Weissflog e D. Demus. "Binary systems with induced smectic phases due to EDA complex formation". Crystal Research and Technology 22, n. 8 (agosto 1987): K125—K128. http://dx.doi.org/10.1002/crat.2170220819.

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XING, LIUDONG. "RELIABILITY MODELING AND ANALYSIS OF COMPLEX HIERARCHICAL SYSTEMS". International Journal of Reliability, Quality and Safety Engineering 12, n. 06 (dicembre 2005): 477–92. http://dx.doi.org/10.1142/s0218539305001963.

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In this paper we consider the problem of reliability modeling and analysis of hierarchical computer-based systems (HS) with modular imperfect coverage (MIPC) and common-cause failures (CCF). The MIPC and CCF can cause vertical dependence that runs through different levels of the system as well as horizontal dependence that runs across components or modules on the same system level. The consideration of these dependencies poses unique challenges to existing HS reliability analysis methods. We propose an efficient decomposition and aggregation approach named EDA-HS to the reliability evaluation of complex hierarchical systems with both MIPC and CCF as one way to meet the above challenges in an efficient and elegant manner. Our approach is to decouple the effects of both MIPC and CCF from the combinatorics of the solution. The approach is represented in a dynamic fault tree by a proposed probabilistic functional dependency gate and a proposed CCF gate modeled after the existing FDEP gate. We present the basics and advantages of the EDA-HS approach by working through an analysis of an example HS subject to MIPC and CCF.

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Reid, Clodagh, Conor Keighrey, Niall Murray, Rónán Dunbar e Jeffrey Buckley. "A Novel Mixed Methods Approach to Synthesize EDA Data with Behavioral Data to Gain Educational Insight". Sensors 20, n. 23 (30 novembre 2020): 6857. http://dx.doi.org/10.3390/s20236857.

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Whilst investigating student performance in design and arithmetic tasks, as well as during exams, electrodermal activity (EDA)-based sensors have been used in attempts to understand cognitive function and cognitive load. Limitations in the employed approaches include lack of capacity to mark events in the data, and to explain other variables relating to performance outcomes. This paper aims to address these limitations, and to support the utility of wearable EDA sensor technology in educational research settings. These aims are achieved through use of a bespoke time mapping software which identifies key events during task performance and by taking a novel approach to synthesizing EDA data from a qualitative behavioral perspective. A convergent mixed method design is presented whereby the associated implementation follows a two-phase approach. The first phase involves the collection of the required EDA and behavioral data. Phase two outlines a mixed method analysis with two approaches of synthesizing the EDA data with behavioral analyses. There is an optional third phase, which would involve the sequential collection of any additional data to support contextualizing or interpreting the EDA and behavioral data. The inclusion of this phase would turn the method into a complex sequential mixed method design. Through application of the convergent or complex sequential mixed method, valuable insight can be gained into the complexities of individual learning experiences and support clearer inferences being made on the factors relating to performance. These inferences can be used to inform task design and contribute to the improvement of the teaching and learning experience.

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Manabe, Ri-ichiroh, Naoko Oh-e, Toshinaga Maeda, Tomohiko Fukuda e Kiyotoshi Sekiguchi. "Modulation of Cell-adhesive Activity of Fibronectin by the Alternatively Spliced EDA Segment". Journal of Cell Biology 139, n. 1 (6 ottobre 1997): 295–307. http://dx.doi.org/10.1083/jcb.139.1.295.

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Fibronectin (FN) has a complex pattern of alternative splicing at the mRNA level. One of the alternatively spliced segments, EDA, is prominently expressed during biological processes involving substantial cell migration and proliferation, such as embryonic development, malignant transformation, and wound healing. To examine the function of the EDA segment, we overexpressed recombinant FN isoforms with or without EDA in CHO cells and compared their cell-adhesive activities using purified proteins. EDA+ FN was significantly more potent than EDA− FN in promoting cell spreading and cell migration, irrespective of the presence or absence of a second alternatively spliced segment, EDB. The cell spreading activity of EDA+ FN was not affected by antibodies recognizing the EDA segment but was abolished by antibodies against integrin α5 and β1 subunits and by Gly-Arg-Gly-Asp-Ser-Pro peptide, indicating that the EDA segment enhanced the cell-adhesive activity of FN by potentiating the interaction of FN with integrin α5β1. In support of this conclusion, purified integrin α5β1 bound more avidly to EDA+ FN than to EDA− FN. Augmentation of integrin binding by the EDA segment was, however, observed only in the context of the intact FN molecule, since the difference in integrin-binding activity between EDA+ FN and EDA− FN was abolished after limited proteolysis with thermolysin. Consistent with this observation, binding of integrin α5β1 to a recombinant FN fragment, consisting of the central cell-binding domain and the adjacent heparin-binding domain Hep2, was not affected by insertion of the EDA segment. Since the insertion of an extra type III module such as EDA into an array of repeated type III modules is expected to rotate the polypeptide up to 180° at the position of the insertion, the conformation of the FN molecule may be globally altered upon insertion of the EDA segment, resulting in an increased exposure of the RGD motif in III10 module and/or local unfolding of the module. Our results suggest that alternative splicing at the EDA exon is a novel mechanism for up-regulating integrin-binding affinity of FN operating when enhanced migration and proliferation of cells are required.

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Chu, Aixuan, Lay Hoon Ang e Hazlina Abdul Halim. "Systematic Literature Review of Ecological Discourse Analysis From 2014 to 2023". Theory and Practice in Language Studies 14, n. 11 (12 novembre 2024): 3431–42. http://dx.doi.org/10.17507/tpls.1411.12.

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One of the crucial foci of contemporary linguistics is upon the complex human-nature relationship within the Anthropocene. An essential methodology of eco-linguistics is Ecological Discourse Analysis (EDA), a field which combines linguistics and ecology. The philosophical underpinning of EDA is rooted in an ecological thematic framework, emphasising the significance of biodiversity and sustainability in the natural world. Despite gaining attention over the past decade, EDA still lacks a comprehensive explanation to adequately and accurately explain the fundamental assertion of its philosophical framework: it gives undue prominence to language biodiversity and sustainability. This systematic literature review, conducted using the PRISMA 2020 paradigm, covers studies from 2014 to 2023. It examines 38 works on EDA across several genres. Further clues illustrate the application of EDA to various genres, often informed by theoretical frameworks associated with systemic functional linguistics, cognitive linguistics, and corpus linguistics. EDA research concentrates on ecological discourse and advocating for protection, exposing the lack of nomenclature, analytical framework, application domain, theoretical framework, and objectives. Furthermore, EDA faces challenges in effectively addressing ecological issues within discourse construction because it does not have a sound theoretical paradigm or enough systematicity. Furthermore, the texts analysed using EDA predominantly focus on ecological discourse, with only a few studies incorporating non-ecological literary texts. This underscores the necessity of expanding the scope of ecological linguistic research.

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Winter, Michael, Rüdiger Pryss, Thomas Probst e Manfred Reichert. "Towards the Applicability of Measuring the Electrodermal Activity in the Context of Process Model Comprehension: Feasibility Study". Sensors 20, n. 16 (14 agosto 2020): 4561. http://dx.doi.org/10.3390/s20164561.

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Process model comprehension is essential in order to understand the five Ws (i.e., who, what, where, when, and why) pertaining to the processes of organizations. However, research in this context showed that a proper comprehension of process models often poses a challenge in practice. For this reason, a vast body of research exists studying the factors having an influence on process model comprehension. In order to point research towards a neuro-centric perspective in this context, the paper at hand evaluates the appropriateness of measuring the electrodermal activity (EDA) during the comprehension of process models. Therefore, a preliminary test run and a feasibility study were conducted relying on an EDA and physical activity sensor to record the EDA during process model comprehension. The insights obtained from the feasibility study demonstrated that process model comprehension leads to an increased activity in the EDA. Furthermore, EDA-related results indicated significantly that participants were confronted with a higher cognitive load during the comprehension of complex process models. In addition, the experiences and limitations we learned in measuring the EDA during the comprehension of process models are discussed in this paper. In conclusion, the feasibility study demonstrated that the measurement of the EDA could be an appropriate method to obtain new insights into process model comprehension.

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Zeng, Yining, Rongxing Duan, Shujuan Huang e Tao Feng. "Reliability analysis for complex systems based on generalized stochastic petri nets and EDA approach considering common cause failure". Engineering Computations 37, n. 5 (19 dicembre 2019): 1513–30. http://dx.doi.org/10.1108/ec-05-2019-0241.

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Purpose This paper aims to deal with the problems of failure dependence and common cause failure (CCF) that arise in reliability analysis of complex systems. Design/methodology/approach Firstly, a dynamic fault tree (DFT) is used to capture the dynamic failure behaviours and converted into an equivalent generalized stochastic petri net (GSPN) for quantitative analysis. Secondly, an efficient decomposition and aggregation (EDA) theory is combined with GSPN to deal with the CCF problem, which exists in redundant systems. Finally, Birnbaum importance measure (BIM) is calculated based on the EDA approach and GSPN model, and it is used to take decisions for system improvement and fault diagnosis. Findings In this paper, a new reliability evaluation method for dynamic systems subject to CCF is presented based on the DFT analysis and the GSPN model. The GSPN model is easy to capture dynamic failure behaviours of complex systems, and the movement of tokens in the GSPN model represent the changes in the state of the systems. The proposed method takes advantage of the GSPN model and incorporates the EDA method into the GSPN, which simplifies the reliability analysis process. Meanwhile, simulation results under different conditions show that CCF has made a considerable impact on reliability analysis for complex systems, which indicates that the CCF should not be ignored in reliability analysis. Originality/value The proposed method combines the EDA theory with the GSPN model to improve the efficiency of the reliability analysis.

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Kumar, Vikash, e Shideh Mehr. "Enhancing Electronic Design Automation Tools with an ML-Based Information Retrieval System". International Journal of Intelligent Information Systems 13, n. 3 (19 giugno 2024): 53–58. http://dx.doi.org/10.11648/j.ijiis.20241303.12.

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Over the past fifty years, Electronic Design Automation (EDA) tools have played a crucial role in the semiconductor industry, assisting in the design, simulation, and manufacturing of integrated circuits (ICs). However, the sophisticated nature of these tools often demands extensive expertise, which can be a barrier for many users. Mastery of these tools necessitates specialized knowledge and skills, including comprehension of complex algorithms, design methodologies, and tool-specific workflows. To address this challenge, this paper introduces a machine learning (ML) based information retrieval system designed to enhance the usability of EDA tools. The objective of this system is to simplify user interactions and make EDA tools more accessible to designers, regardless of their expertise level. The main idea of this ML-driven system is to provide a chatbot-like interface that facilitates efficient, context-aware searches and offers interactive, step-by-step guidance on using various tool functionalities. By integrating natural language processing and machine learning techniques, the system can understand user queries, extract relevant information from the tool's documentation, and provide context-specific guidance. This approach helps to mitigate the steep learning curve associated with advanced EDA applications and enhances tool accessibility. Consequently, it promotes a more intuitive interaction with sophisticated EDA software, thus fostering enhanced usability of complex tools in the semiconductor industry. This work exemplifies the transformative potential of integrating machine learning with conversational user interfaces in making sophisticated software applications more user-friendly.

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Tian, Zeyu. "Introduction to machine leaning in electronic design automation (EDA)". Applied and Computational Engineering 6, n. 1 (14 giugno 2023): 520–26. http://dx.doi.org/10.54254/2755-2721/6/20230849.

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The rapid growth of the intergraded circuit industry as predicted by Moores law has significantly increased the importance of efficient design processes. In addition, due to physical constraint, we will soon reach the limit of how small the size of the transistor can become, and the design processes will become more complex than ever. In order to cope with those challenges and introduce the product to the market within the time to market, the industry has been developing ways to apply machine learning to concurrent EDA tools. This paper will aim to introduce how machine learning is applied to varies processes of electronic design and how they improve the current EDA tools. We will also show the limitations and opportunities of ML based EDA tools and provide a rough idea of the potential future to those who are looking into this area.

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Liang, Xin, Yufei Li, Qing Xia, Lan Cheng, Jianbo Guo, Pei Zhang, Weihua Zhang e Qingmin Wang. "Visible-light-driven electron donor–acceptor complex induced sulfonylation of diazonium salts with sulfinates". Green Chemistry 23, n. 22 (2021): 8865–70. http://dx.doi.org/10.1039/d1gc03239a.

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Gilbert, Audrey, Mélodie Birepinte e Jean-François Paquin. "Electron donor-acceptor (EDA)-complex enabled SF5Cl addition on alkenes and alkynes". Journal of Fluorine Chemistry 243 (marzo 2021): 109734. http://dx.doi.org/10.1016/j.jfluchem.2021.109734.

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Leyva, Elisa, Agobardo Cárdenas-Chaparro, Silvia E. Loredo-Carrillo, Lluvia I. López, Fernanda Méndez-Sánchez e Antonio Martínez-Richa. "Ultrasound-assisted reaction of 1,4-naphthoquinone with anilines through an EDA complex". Molecular Diversity 22, n. 2 (13 marzo 2018): 281–90. http://dx.doi.org/10.1007/s11030-018-9820-9.

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Kijeński, Jacek, e Ryszard Hombek. "Step by Step Modeling of Superbasic Catalysts of the EDA Complex Type". Journal of Catalysis 167, n. 2 (aprile 1997): 503–12. http://dx.doi.org/10.1006/jcat.1997.1561.

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Visnovcova, Zuzana, Marek Kozar, Zuzana Kuderava, Mirko Zibolen, Nikola Ferencova e Ingrid Tonhajzerova. "Entropy Analysis of Neonatal Electrodermal Activity during the First Three Days after Birth". Entropy 24, n. 3 (17 marzo 2022): 422. http://dx.doi.org/10.3390/e24030422.

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The entropy-based parameters determined from the electrodermal activity (EDA) biosignal evaluate the complexity within the activity of the sympathetic cholinergic system. We focused on the evaluation of the complex sympathetic cholinergic regulation by assessing EDA using conventional indices (skin conductance level (SCL), non-specific skin conductance responses, spectral EDA indices), and entropy-based parameters (approximate, sample, fuzzy, permutation, Shannon, and symbolic information entropies) in newborns during the first three days of postnatal life. The studied group consisted of 50 healthy newborns (21 boys, average gestational age: 39.0 ± 0.2 weeks). EDA was recorded continuously from the feet at rest for three periods (the first day—2 h after birth, the second day—24 h after birth, and the third day—72 h after birth). Our results revealed higher SCL, spectral EDA index in a very-low frequency band, approximate, sample, fuzzy, and permutation entropy during the first compared to second and third days, while Shannon and symbolic information entropies were lower during the first day compared to other periods. In conclusion, EDA parameters seem to be sensitive in the detection of the sympathetic regulation changes in early postnatal life and which can represent an important step towards a non-invasive early diagnosis of the pathological states linked to autonomic dysmaturation in newborns.

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Li, Wuke, Xiaoxiao Chen e Hector Chimeremeze Okere. "MSAO-EDA: A Modified Snow Ablation Optimizer by Hybridizing with Estimation of Distribution Algorithm". Biomimetics 9, n. 10 (7 ottobre 2024): 603. http://dx.doi.org/10.3390/biomimetics9100603.

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Metaheuristic algorithms provide reliable and effective methods for solving challenging optimization problems. The snow ablation algorithm (SAO) performs favorably as a physics-based metaheuristic algorithm. Nevertheless, SAO has some shortcomings. SAO is overpowered in its exploitation, has difficulty in balancing the proportion of global and local search, and is prone to encountering local optimum traps when confronted with complex problems. To improve the capability of SAO, this paper proposes a modified snow ablation algorithm hybrid distribution estimation algorithm named MSAO-EDA. In this work, a collaborative search framework is proposed where SAO and EDA can be organically integrated together to fully utilize the exploitation capability of SAO and the exploration capability of EDA. Secondly, an offset EDA approach that combines the optimal solution and the agent itself is used to replace SAO’s exploration strategy for the purpose of enhancing SAO’s exploration capability. Finally, the convergence of SAO is accelerated by selecting the next generation of agents through a greedy strategy. MSAO-EDA is tested on the CEC 2017 and CEC 2022 test suites and compared with EO, RIME, MRFO, CFOA, and four advanced algorithms, AFDBARO, CSOAOA, EOSMA, and JADE. The experimental results show that MSAO-EDA has excellent efficiency in numerical optimization problems and is a highly competitive SAO variant.

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Biasutti, M. A., e Juana J. Silber. "Interaction between tetracyanoethylene and naphthalene in reverse micelles of AOT in n-hexane. The electron-donor properties of AOT". Canadian Journal of Chemistry 74, n. 9 (1 settembre 1996): 1603–8. http://dx.doi.org/10.1139/v96-177.

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The electron donor–acceptor (EDA) interaction between TCNE and naphthalene (Naph) in n-hexane and reverse micelles of AOT in n-hexane was studied by UV–visible spectroscopy with the aim of determining the influence of the micellar media on the EDA interaction. The spectra of the mixtures of TCNE–Naph in n-hexane show two typical maxima at 418 and 534 nm, assigned to the formation of a π–π EDA complex. In the micellar media a new band is observed at 398 nm. When the spectra of TCNE in n-hexane are studied in the presence of AOT two new bands at 398 and 418 nm are detected. These bands are consistent with an EDA interaction between TCNE and AOT as n-donor. The stability constants of this interaction were calculated for AOT concentrations below the CMC and in the micellar media at different W(W = [H2O]/[AOT]). The results give evidence of the tendency of AOT to interact very strongly with electron acceptors. Moreover, in the system TCNE–Naph in the micellar media it is shown that Naph and AOT compete to form a complex with TCNE. The formation constants of the complexes of AOT–Naph in the micelle system were determined at W = 0 and 5. Despite the competition of AOT for TCNE the stability constant for the complex TCNE–Naph is higher than in homogeneous media, probably due to the high local concentration of the acceptor in the micelle. Key words: reverse micelles, aerosol-OT, tetracyanoethylene, naphthalene, electron donor–acceptor complexes.

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Adaileh, Fedaa. "Crosslinking of Water-Soluble Cyclodextrin with Hyaluronic Acid for Targeted Drug Delivery". Jordan Journal of Pharmaceutical Sciences 16, n. 2 (24 luglio 2023): 558. http://dx.doi.org/10.35516/jjps.v16i2.1497.

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Introduction: Most of the cytotoxic anticancer drugs belong to substances with both low solubility in aqueous fluids and poor cellular uptake, which lead to lack of specific therapy with apparent side effects. Therefore, there is a need to develop a novel drug delivery that can remotely and selectively release their payload. Curcumin(CUR) is an antibiotic, also a powerful inhibitor of the proliferation of several tumor cells. Aims: The aim of the present work is to highlight and discussed hyaluronic acid (HA ) to be grafted with Mono-6-deoxyl-6-ethylenediamino-γ-cyclodextrin (ɣ-CD-EDA) to shape a hydrogel that ought to structure inclusion complexes with curcumin, bettering its water-solubility and serving as a model drug delivery system Methods: Distinct copolymers had been organized HA grafted with ɣ-cyclodextrin (ɣ-CD-EDA) to form a hydrogel with various HA: ɣ-CD-EDA ratios and characterized, by means of 1H-NMR spectroscopy, zeta potential, Thermogravimetry analysis) TGA) Differential scanning calorimetry (DSC), and transmission electron microscopy (TEM). Furthermore, drug loading Encapsulation efficiency (EE%), and release kinetics, and stability. Also, cytotoxicity and uptake were assessed by flow cytometry, MTT assay and confocal laser microscopy. Wound healing activity was once improved using three cell MDA-MB-231, MCF-7, and fibroblast. Measuring the effect of HA-γ-CD-EDA1-CUR, γ-CD-EDA1-CUR, and CUR free on the Production and Secretion of inflammatory cytokines Result: CUR loading potential used to be at once correlated with extended HA-ɣ-CD-EDA composition and morphological adjustments have been discovered upon CUR binding. The host substances and their CUR inclusion complexes are no longer cytotoxic, and consequently beneficial for CUR and drug delivery. Moreover, HA-γ-CD-EDA1-CUR, γ-CD-EDA1-CUR, and CUR wound healing activity was once improved, and human promonocytic THP-1 cells produce inflammatory mediators such as IL-1β, IL10,IL8, TNF-α,IRAKI and IL6 results showed that the combination HA-γ-CD-EDA1-CUR could be suitable to reduce inflammation and the complex promoted the anti-inflammatory effect by the inhibition of inflammatory mediators. Conclusion: HA grafted with ɣ-cyclodextrin (ɣ-CD-EDA) to form a hydrogel was designed, formulated, and full characterized. Nanoparticles were stable at physiological pH and have released payload. Encapsulation of CUR into polymer increased its selectivity, distribution, and accumulation into the cancer cells. HA-CD-EDA1conjugated curcumin if incorporated in suitable matrix has a potential utility for treatment of wound, and down regulation in THP-1 cells.

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Attinà, Agostino, Ivan Pietro Oliveri, Massimiliano Gaeta e Santo Di Bella. "Sensitive and Discriminative Fluorescent Detection of Volatile Primary Aliphatic Diamine Vapors from Monoamines". Molecules 29, n. 24 (17 dicembre 2024): 5947. https://doi.org/10.3390/molecules29245947.

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The discriminative detection of volatile primary aliphatic diamines (VPADs) is a relevant and timely issue. This paper explores the distinctive optical features of H-type and J-type aggregates on paper-based (PB) films, namely H-PB and J-PB films, respectively, of a Lewis acidic Zn(salen)-type complex upon chemisorption of vapors of ditopic VPADs versus those of monotopic volatile amines. While volatile monotopic Lewis bases upon chemisorption give rise to mono-adducts accompanied by enhancement of the fluorescence, in contrast, VPADs act as ditopic bases forming di-adducts with distinct optical properties, leading to fluorescence quenching. This behavior enables the sensitive and discriminative detection of VPAD vapors from those of volatile monoamines. For example, for ethylenediamine (EDA), using J-PB films, sensitive detection is achieved with a LOD down to 6.6 ppm, lower than the OSHA permissible exposure limit of 10 ppm for EDA, and a linear dynamic range up to 100 ppm. Instead, H-PB films enable the detection of EDA vapors at higher ppm concentrations (up to 3000 ppm) with a linearity of up to 1000 ppm. Thus, the combination of both H-PB and J-PB films of the Zn(salen)-type complex represents a unique example of the sensitive and discriminative detection of EDA vapors in such a wide concentration range.

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Kumazaki, T., Y. Mitsui, K. Hamada, H. Sumida e M. Nishiyama. "Detection of alternative splicing of fibronectin mRNA in a single cell". Journal of Cell Science 112, n. 10 (15 maggio 1999): 1449–53. http://dx.doi.org/10.1242/jcs.112.10.1449.

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Pre-fibronectin mRNA is subject to alternative splicing at three sites, EDA, EDB and IIICS. We analyzed the alternative splicing of fibronectin mRNA in a single cell. Reverse transcription-polymerase chain reaction analyses showed cells that produced a single form of mRNA at each one of these sites as well as cells that produced multiple forms at a given site: for example, some cells produced either the EDA(+) or EDA(-) form of the mRNA and other cells produced both forms. About 80% of the cells produced both (+) and (-) forms of the mRNA at the EDA and EDB sites, and the remaining cells contained either the (+) or (-) form. Five forms of fibronectin mRNA can result from alternative splicing at the IIICS site. Complex combinations of alternative splicing products were observed among the individual cells: there were ten different combinations of mRNA isoforms with respect to the IIICS site. Statistically significant changes in alternative splicing at the IIICS site were observed during cellular senescence.

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Mao, Yuezhi, Matthias Loipersberger, Paul R. Horn, Akshaya Das, Omar Demerdash, Daniel S. Levine, Srimukh Prasad Veccham, Teresa Head-Gordon e Martin Head-Gordon. "From Intermolecular Interaction Energies and Observable Shifts to Component Contributions and Back Again: A Tale of Variational Energy Decomposition Analysis". Annual Review of Physical Chemistry 72, n. 1 (20 aprile 2021): 641–66. http://dx.doi.org/10.1146/annurev-physchem-090419-115149.

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Quantum chemistry in the form of density functional theory (DFT) calculations is a powerful numerical experiment for predicting intermolecular interaction energies. However, no chemical insight is gained in this way beyond predictions of observables. Energy decomposition analysis (EDA) can quantitatively bridge this gap by providing values for the chemical drivers of the interactions, such as permanent electrostatics, Pauli repulsion, dispersion, and charge transfer. These energetic contributions are identified by performing DFT calculations with constraints that disable components of the interaction. This review describes the second-generation version of the absolutely localized molecular orbital EDA (ALMO-EDA-II). The effects of different physical contributions on changes in observables such as structure and vibrational frequencies upon complex formation are characterized via the adiabatic EDA. Example applications include red- versus blue-shifting hydrogen bonds; the bonding and frequency shifts of CO, N2, and BF bound to a [Ru(II)(NH3)5]2 + moiety; and the nature of the strongly bound complexes between pyridine and the benzene and naphthalene radical cations. Additionally, the use of ALMO-EDA-II to benchmark and guide the development of advanced force fields for molecular simulation is illustrated with the recent, very promising, MB-UCB potential.

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Gallego-Gamo, Albert, David Reyes-Mesa, Axel Guinart-Guillem, Roser Pleixats, Carolina Gimbert-Suriñach, Adelina Vallribera e Albert Granados. "Site-selective and metal-free C–H phosphonation of arenes via photoactivation of thianthrenium salts". RSC Advances 13, n. 33 (2023): 23359–64. http://dx.doi.org/10.1039/d3ra04512a.

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McClenaghan, Nathan D., Zacharias Grote, Karine Darriet, Michael Zimine, René M. Williams, Luisa De Cola e Dario M. Bassani. "Supramolecular Control of Oligothienylenevinylene−Fullerene Interactions: Evidence for a Ground-State EDA Complex". Organic Letters 7, n. 5 (marzo 2005): 807–10. http://dx.doi.org/10.1021/ol047527r.

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Kammer, Lisa Marie, Shorouk O. Badir, Ren-Ming Hu e Gary A. Molander. "Photoactive electron donor–acceptor complex platform for Ni-mediated C(sp3)–C(sp2) bond formation". Chemical Science 12, n. 15 (2021): 5450–57. http://dx.doi.org/10.1039/d1sc00943e.

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This works demonstrates the implementation of an electron donor–acceptor (EDA) complex platform toward Ni-catalyzed C(sp³)–C(sp²) bond formation, circumventing the need for exogenous photocatalysts, additives, and stoichiometric metal reductants.

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Shabani, Mozhdeh, Reza Ghiasi, Karim Zare e Reza Fazaeli. "The interaction between carboplatin anticancer drug and B12N12 nano-cluster: A computational investigation". Main Group Chemistry, 29 luglio 2021, 1–10. http://dx.doi.org/10.3233/mgc-210051.

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This study investigated the interaction between B12N12 nano-cluster and carboplatin complex using B3P86 functional. Two interaction modes between B12N12 nano-cluster and carboplatin complex were considered. The bonding interaction between the B12N12 nano-cluster and carboplatin complex was examined through energy decomposition analysis (EDA). Also, Shubin Liu’s energy decomposition analysis (EDA-SBL) is used to study the source of energy differences between various isomers of B12N12 ... carboplatin complex. Charge transfer between fragments were illustrated with electrophilicity-based charge transfer (ECT) and extended charge decomposition analysis (ECDA). The quantum theory of atoms in molecules (QTAIM) analysis was applied to assess the Pt-B and Pt-N bonds within B12N12 ... carboplatin complex.

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Costa, Rodrigo, Gabriel M. F. Batista, Timothy J. Brocksom e Kleber de Oliveira. "Discovery of EDA‐Complex Photochemical Reactions Using Computational Vision". Advanced Synthesis & Catalysis, 29 ottobre 2024. http://dx.doi.org/10.1002/adsc.202401045.

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Herein, we report a multidimensional screening strategy to discover Electron Donor‐Acceptor (EDA) complex photochemical reactions using only simple photographic devices, such as webcams or cellphones, combined with TLC analysis. An algorithm was designed to automatically identify EDA‐complex reactive mixtures in solution by processing digital images from a 96‐well microplate, alongside TLC results. The code detects the absorption region of the mixture in the visible spectrum and quantifies color changes through grayscale values. Integrated automatic TLC analysis further classifies mixtures as colorimetric reactions, non‐reactive, or potentially reactive EDA complexes. Leveraging this screening platform, we have developed a new EDA‐mediated approach to synthesize iminophosphoranes in yields up to 90%.

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Stevenson, Bernard G., Amanada V. Prascsak, Annemarie A. Lee, Eric D. Talbott, Lisa A. Fredin e John R. Swierk. "Enhanced basicity of an electron donor–acceptor complex". Chemical Communications, 2023. http://dx.doi.org/10.1039/d2cc05985a.

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Li, Yufei, Jie Hou, Pei Zhang, Peng Dai, Yucheng Gu, Qing Xia e Weihua Zhang. "Electron Donor‐Acceptor Complex Driven Photocatalyst‐Free Trifluoromethylation of Heterocycles". Chemistry – A European Journal, 31 marzo 2024. http://dx.doi.org/10.1002/chem.202400237.

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Heterocyclic trifluoromethylation is efficiently initiated through a photochemical reaction utilizing an electron donor–acceptor (EDA) complex, proceeding smoothly without the use of photocatalysts, transition‐metal catalysts, or additional oxidants. This method has been optimized through extensive experimentation, demonstrating its versatility and efficacy across various substrates, including quinoxalinones, coumarins, and indolones. Notably, this approach enables the practical synthesis of trifluoromethylated quinoxalinones on a gram scale. Mechanistic investigations that incorporate radical trapping and ultraviolet/visible spectroscopy, confirmed the formation of the an EDA complex and elucidated the reaction pathways. This study highlights the crucial role of EDA photoactivation in trifluoromethylation, significantly expanding the application scope of EDA complexes in chemical synthesis.

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Huang, Lei, Chaodong Wang, Zhi Chen, Qianxi Jin, Shengjie Song, Jiadi Zhou e Jianjun Li. "Photoinduced EDA Complex‐initiated Synthesis of Fluoroalkylated Isoquinolinonediones". Chemistry – A European Journal, 6 novembre 2024. http://dx.doi.org/10.1002/chem.202403286.

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A visible‐light‐induced radical tandem difluoroalkylation/cyclization to construct CF2‐containing isoquinolinonedione skeletons with methacryloyl benzamides is developed. Broad substrate scopes are compatible with metal‐, oxidant‐ and photocatalyst‐free conditions under room temperature in good‐to‐excellent yields. Mechanistic analysis revealed that the transformation is initiated by photoinduced electron donor‐acceptor (EDA) complexes formation.

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Yan, Tingtao, Jianjing Yang, Kelu Yan, Zhonglei Wang, Bingwen Li e Jiangwei Wen. "A General Photoactive H‐Bonding EDA Complex Model Drives the Selective Hydrothiolation and Hydroxysulfenylation of Carbonyl Activated Alkenes". Angewandte Chemie, 2 luglio 2024. http://dx.doi.org/10.1002/ange.202405186.

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Excitation of photoactive electron donor−acceptor (EDA) complexes to generate radical is a promising approach in radical chemistry. In this study, we introduce a new model of H‐bonding EDA complexes for the selective hydrothiolation and hydroxysulfenylation of carbonyl‐activated alkenes with diverse thiols under visible light conditions. The reliability of this H‐bonding EDA complex model has been confirmed by meticulous experimental and theoretical calculations. Mechanistic investigations have revealed the significant influence of the solvent in determining whether the excitation of photoactive H‐bonding EDA complex leads to charge transfer (CT) or energy‐charge transfer (En‐CT), thereby controlling Markovnikov and anti‐Markovnikov selectivity. Notably, the Quantum Theory of Atoms in Molecules (QTAIM) analysis clearly shows that the excited state of the C＝O‐‐‐H‐S EDA complex involves closed‐shell partially covalent interactions.

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Yan, Tingtao, Jianjing Yang, Kelu Yan, Zhonglei Wang, Bingwen Li e Jiangwei Wen. "A General Photoactive H‐Bonding EDA Complex Model Drives the Selective Hydrothiolation and Hydroxysulfenylation of Carbonyl Activated Alkenes". Angewandte Chemie International Edition, 2 luglio 2024. http://dx.doi.org/10.1002/anie.202405186.

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Abstract (sommario):

Excitation of photoactive electron donor−acceptor (EDA) complexes to generate radical is a promising approach in radical chemistry. In this study, we introduce a new model of H‐bonding EDA complexes for the selective hydrothiolation and hydroxysulfenylation of carbonyl‐activated alkenes with diverse thiols under visible light conditions. The reliability of this H‐bonding EDA complex model has been confirmed by meticulous experimental and theoretical calculations. Mechanistic investigations have revealed the significant influence of the solvent in determining whether the excitation of photoactive H‐bonding EDA complex leads to charge transfer (CT) or energy‐charge transfer (En‐CT), thereby controlling Markovnikov and anti‐Markovnikov selectivity. Notably, the Quantum Theory of Atoms in Molecules (QTAIM) analysis clearly shows that the excited state of the C＝O‐‐‐H‐S EDA complex involves closed‐shell partially covalent interactions.

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Kürschner, Julian, Martin Utikal, Lena Lezius, Rubaishan Jeyaseelan e Line Dahl Næsborg. "EDA complexation of two donor molecules initiating radical cation cyclizations". Synthesis, 16 gennaio 2025. https://doi.org/10.1055/a-2518-0987.

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We present a catalyst-free EDA complexation of two donor molecules using an acidic solvent. The electron-rich aromatic compound E-anethole is slowly protonated by the solvent hexafluoroisopropanol (HFIP), leading to the rapid formation of a photoactive EDA complex between a protonated E-anethole and another E-anethole molecule. This resulting EDA complex initiates radical chain cyclization reactions under green light irradiation.

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Paul, Aditya, Arunava Sengupta e Somnath Yadav. "Visible-Light Driven Acetoxylation and Dioxygenation of Indoles via Electron Donor-Acceptor Complexes". Chemical Communications, 2023. http://dx.doi.org/10.1039/d3cc01683h.

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A photoresponsive electron donor-acceptor (EDA) complex, formed by indole and hypervalent iodine such as diacetoxyiodobenzene (DAIB/PIDA, etc.) was detectable through absorption and emission spectroscopy. Irradiation of the EDA complex with...

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