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47 pages, 486 KB  
Article
A Structural Theory of Quantum Computational Advantage from Admissible Histories
by Bin Li
Quantum Rep. 2026, 8(2), 49; https://doi.org/10.3390/quantum8020049 - 22 May 2026
Viewed by 272
Abstract
We propose a structural framework for interpreting quantum computational advantage in terms of admissible continuation of configurations. In this framework, a quantum computation is described not only as a sequence of gates acting on a state vector but also as the organization of [...] Read more.
We propose a structural framework for interpreting quantum computational advantage in terms of admissible continuation of configurations. In this framework, a quantum computation is described not only as a sequence of gates acting on a state vector but also as the organization of admissible histories whose phase contributions combine coherently in a manner related to sum-over-histories and path-integral formulations of quantum mechanics. We identify three structural features that are relevant to quantum advantage: the multiplicity of admissible histories, the degree of phase coherence among them, and the non-factorizable structure of continuation constraints corresponding to entanglement-like global dependence. To make these features explicit, we introduce the notion of effective coherent multiplicity, which measures the coherently usable portion of an admissible-history space before probability normalization. We then formulate a structural speedup conjecture: substantial quantum advantage requires not merely a large number of possible histories but scalable coherent multiplicity supported by non-factorizable constraints whose instability remains bounded. We also introduce a coherent-fiber criterion, which identifies phase-alignable families of histories selected by compact computational relations as a structural source of coherent amplification. This formulation does not replace standard complexity-theoretic measures such as circuit size, query complexity, or BQP membership. Rather, it provides a complementary structural language for relating those measures to interference, entanglement, decoherence, and the organization of computational history space. The framework clarifies, at a structural level, why raw branching alone is insufficient for speedup, why unstructured search yields only a limited advantage, and why problems with compact global regularities, such as Simon’s problem and period finding, can support stronger coherent amplification. The paper also discusses how the proposed quantities relate to standard notions, including success amplitudes, entanglement measures, tensor-network simulability, and fault-tolerance constraints. In this way, admissible-history structure is presented as a diagnostic viewpoint for understanding both the power and limitations of quantum computation. Full article
(This article belongs to the Section Quantum Computing and Information Processing)
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41 pages, 7467 KB  
Article
A Discrete Heuristic Model of Vacuum Memory with Fractal-like Structure: Entropy, Fourier Signatures, Bohmian Guidance and Decoherence in a Two-Slit Interferometer
by Călin Gheorghe Buzea, Diana Carmen Mirila, Florin Nedeff, Valentin Nedeff, Mirela Panainte-Lehăduș, Oana Rusu, Lucian Dobreci, Maricel Agop, Irena-Cristina Grierosu and Vlad Ghizdovat
Fractal Fract. 2026, 10(2), 117; https://doi.org/10.3390/fractalfract10020117 - 9 Feb 2026
Viewed by 951
Abstract
We present a conceptual and computational investigation of vacuum memory within a discrete toy-model framework. In this phenomenological approach, we introduce an effective memory field that records virtual events and nonlocal couplings on a lattice, without claiming to derive a fundamental new field [...] Read more.
We present a conceptual and computational investigation of vacuum memory within a discrete toy-model framework. In this phenomenological approach, we introduce an effective memory field that records virtual events and nonlocal couplings on a lattice, without claiming to derive a fundamental new field of nature. Using a discrete toy model, we simulate memory formation via virtual events, nonlocal links, and black-hole-like information sinks. The resulting dynamics exhibit long-range spatial correlations, curvature-induced accumulation, high-entropy retention zones, and distinct spectral features, indicating that the modeled memory field can store and organize information in a vacuum-like medium. Building on this foundation, we incorporate curvature-modulated vacuum memory fields into Bohmian particle dynamics. By varying the memory coupling strength λ, we demonstrate that memory gradients systematically bend particle trajectories toward curvature centers, illustrating an active role for structured memory in guiding quantum-like motion. We further show that when vacuum memory encodes the full quantum phase S(x, t) and particles are guided by the Bohmian relation x˙=m1xS, the trajectories collapse onto a single path with machine-level precision, providing a numerical consistency check that our implementation reproduces exact pilot-wave guidance and minimal-action dynamics. Through a minimal two-site entangled-memory model, we demonstrate that coupled memory fields—without explicit particle dynamics—can spontaneously synchronize via weak informational coupling, generating robust nonlocal correlations reminiscent of entanglement. Finally, we simulate two-slit interference under vacuum memory perturbations. While random, unstructured memory preserves quantum coherence and fringe visibility, structured, phase-sensitive memory induces dephasing and suppresses interference, functioning as a phenomenological decoherence mechanism. Together, these results situate our toy model within emerging information-based views of quantum dynamics and spacetime, offering a computational platform and conceptual lens for exploring the informational dynamics of a vacuum-like medium. Full article
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31 pages, 1304 KB  
Article
The Informational Birth of the Universe: A Theory of Everything from Quantum Complexity
by Gastón Sanglier Contreras, Roberto Alonso González-Lezcano and Eduardo J. López Fernández
Quantum Rep. 2026, 8(1), 4; https://doi.org/10.3390/quantum8010004 - 12 Jan 2026
Viewed by 4456
Abstract
We propose a unified theoretical framework grounded in a Primordial Quantum Field (PQF)—a continuous, non-local informational substrate that precedes space-time and matter. The PQF is represented by a wave functional evolving in an abstract configuration space, where physical properties emerge through the self-organization [...] Read more.
We propose a unified theoretical framework grounded in a Primordial Quantum Field (PQF)—a continuous, non-local informational substrate that precedes space-time and matter. The PQF is represented by a wave functional evolving in an abstract configuration space, where physical properties emerge through the self-organization of complexity. We introduce a novel physical quantity—complexity entropy Sc[ϕ]—which quantifies the structural organization of the PQF. Unlike traditional entropy measures (Shannon, von Neumann, Kolmogorov), Sc[ϕ] captures non-trivial coherence and functional correlations. We demonstrate how complexity gradients induce an emergent geometry, from which spacetime curvature, physical constants, and the arrow of time arise. The model predicts measurable phenomena such as entanglement waves and reinterprets dark energy as informational coherence pressure, suggesting empirical pathways for testing via highly correlated quantum systems. Full article
(This article belongs to the Special Issue Exclusive Feature Papers of Quantum Reports in 2024–2025)
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35 pages, 942 KB  
Article
Parametric Resonance, Arithmetic Geometry, and Adelic Topology of Microtubules: A Bridge to Orch OR Theory
by Michel Planat
Int. J. Topol. 2026, 3(1), 1; https://doi.org/10.3390/ijt3010001 - 7 Jan 2026
Cited by 2 | Viewed by 2703
Abstract
Microtubules are cylindrical protein polymers that organize the cytoskeleton and play essential roles in intracellular transport, cell division, and possibly cognition. Their highly ordered, quasi-crystalline lattice of tubulin dimers, notably tryptophan residues, endows them with a rich topological and arithmetic structure, making them [...] Read more.
Microtubules are cylindrical protein polymers that organize the cytoskeleton and play essential roles in intracellular transport, cell division, and possibly cognition. Their highly ordered, quasi-crystalline lattice of tubulin dimers, notably tryptophan residues, endows them with a rich topological and arithmetic structure, making them natural candidates for supporting coherent excitations at optical and terahertz frequencies. The Penrose–Hameroff Orch OR theory proposes that such coherences could couple to gravitationally induced state reduction, forming the quantum substrate of conscious events. Although controversial, recent analyses of dipolar coupling, stochastic resonance, and structured noise in biological media suggest that microtubular assemblies may indeed host transient quantum correlations that persist over biologically relevant timescales. In this work, we build upon two complementary approaches: the parametric resonance model of Nishiyama et al. and our arithmetic–geometric framework, both recently developed in Quantum Reports. We unify these perspectives by describing microtubules as rectangular lattices governed by the imaginary quadratic field Q(i), within which nonlinear dipolar oscillations undergo stochastic parametric amplification. Quantization of the resonant modes follows Gaussian norms N=p2+q2, linking the optical and geometric properties of microtubules to the arithmetic structure of Q(i). We further connect these discrete resonances to the derivative of the elliptic L-function, L(E,1), which acts as an arithmetic free energy and defines the scaling between modular invariants and measurable biological ratios. In the appended adelic extension, this framework is shown to merge naturally with the Bost–Connes and Connes–Marcolli systems, where the norm character on the ideles couples to the Hecke character of an elliptic curve to form a unified adelic partition function. The resulting arithmetic–elliptic resonance model provides a coherent bridge between number theory, topological quantum phases, and biological structure, suggesting that consciousness, as envisioned in the Orch OR theory, may emerge from resonant processes organized by deep arithmetic symmetries of space, time, and matter. Full article
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35 pages, 2320 KB  
Review
Thermodynamic Biomarkers of Neuroinflammation: Nanothermometry, Energy–Stress Dynamics, and Predictive Entropy in Glial–Vascular Networks
by Valentin Titus Grigorean, Adrian Vasile Dumitru, Catalina-Ioana Tataru, Matei Serban, Alexandru Vlad Ciurea, Octavian Munteanu, Mugurel Petrinel Radoi, Razvan-Adrian Covache-Busuioc, Ariana-Stefana Cosac and George Pariza
Int. J. Mol. Sci. 2025, 26(22), 11022; https://doi.org/10.3390/ijms262211022 - 14 Nov 2025
Cited by 5 | Viewed by 1864
Abstract
Homeostasis, which supports and maintains brain function, results from the continuous regulation of thermodynamics within tissue: the balance of heat production, redox oscillations, and vascular convection regulates coherent energy flow within the organ. Neuroinflammation disturbs this balance, creating measurable entropy gradients that precede [...] Read more.
Homeostasis, which supports and maintains brain function, results from the continuous regulation of thermodynamics within tissue: the balance of heat production, redox oscillations, and vascular convection regulates coherent energy flow within the organ. Neuroinflammation disturbs this balance, creating measurable entropy gradients that precede structural damage to its tissue components. This paper proposes that a thermodynamic unity can be devised that incorporates nanoscale physics, energetic neurophysiology, and systems neuroscience, and can be used to understand and treat neuroinflammatory processes. Using multifactorial modalities such as quantum thermometry, nanoscale calorimetry, and redox oscillometry we define how local entropy production (st), relaxation time (τR), and coherence lengths (λc) allow quantification of the progressive loss of energetic symmetry within neural tissues. It is these variables that provide the basis for the etiology of thermodynamic biomarkers which on a molecular-redox-to-network scale characterize the transitions governing the onset of the neuroinflammatory process as well as the recovery potential of the organism. The entropic probing of systems (PEP) further allows the translation of these parameters into dynamic patient-specific trajectories that model the behavior of individuals by predicting recurrent bouts of instability through the application of machine learning algorithms to the vectors of entropy flux. The parallel development of the nanothermodynamic intervention, which includes thermoplasmonic heat rebalancing, catalytic redox nanoreacting systems, and adaptive field-oscillation synchronicity, shows by example how the corrections that can be applied to the entropy balance of the cell and system as a whole offer a feasible form of restoration of energy coherence. Such closed loop therapy would not function by the suppression of inflammatory signaling, but rather by the re-establishment of reversible energy relations between mitochondrial, glial, and vascular territories. The combination of these factors allows for correction of neuroinflammation, which can now be viewed from a fresh perspective as a dynamic phase disorder that is diagnosable, predictable, and curable through the physics of coherence rather than the molecular suppression of inflammatory signaling. The significance of this set of ideas is considerable as it introduces a feasible and verifiable structure to what must ultimately become the basis of a new branch of science: predictive energetic medicine. It is anticipated that entropy, as a measurable and modifiable variable in therapeutic “inscription”, will be found to be one of the most significant parameters determining the neurorestoration potential in future medical science. Full article
(This article belongs to the Special Issue Neuroinflammation: From Molecular Mechanisms to Therapy)
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58 pages, 4362 KB  
Review
Non-Perturbative Approaches to Linear and Nonlinear Responses of Atoms, Molecules, and Molecular Aggregates: A Theoretical Approach to Molecular Quantum Information and Quantum Biology
by Satoru Yamada, Takao Kobayashi, Masahiro Takahata, Hiroya Nitta, Hiroshi Isobe, Takashi Kawakami, Shusuke Yamanaka, Mitsutaka Okumura and Kizashi Yamaguchi
Chemistry 2025, 7(5), 164; https://doi.org/10.3390/chemistry7050164 - 7 Oct 2025
Cited by 2 | Viewed by 2724
Abstract
Non-perturbative approaches to linear and nonlinear responses (NLR) of atoms, molecules, and molecular aggregates are reviewed in relation to low and high harmonic generations (HG) by laser fields. These response properties are effective for the generation of entangled light pairs for quantum information [...] Read more.
Non-perturbative approaches to linear and nonlinear responses (NLR) of atoms, molecules, and molecular aggregates are reviewed in relation to low and high harmonic generations (HG) by laser fields. These response properties are effective for the generation of entangled light pairs for quantum information processing by spontaneous parametric downconversion (SPDC) and stimulated four-wave mixing (SFWM). Quasi-energy derivative (QED) methods, such as QED Møller–Plesset (MP) perturbation, are reviewed as time-dependent variational methods (TDVP), providing analytical expressions of time-dependent linear and nonlinear responses of open-shell atoms, molecules, and molecular aggregates. Numerical Liouville methods for the low HG (LHG) and high HG (HHG) regimes are reviewed to elucidate the NLR of molecules in both LHG and HHG regimes. Three-step models for the generation of HHG in the latter regime are reviewed in relation to developments of attosecond science and spectroscopy. Orbital tomography is also reviewed in relation to the theoretical and experimental studies of the amplitudes and phases of wave functions of open-shell atoms and molecules, such as molecular oxygen, providing the Dyson orbital explanation. Interactions between quantum lights and molecules are theoretically examined in relation to derivations of several distribution functions for quantum information processing, quantum dynamics of molecular aggregates, and future developments of quantum molecular devices such as measurement-based quantum computation (MBQC). Quantum dynamics for energy transfer in dendrimer and related light-harvesting antenna systems are reviewed to examine the classical and quantum dynamics behaviors of photosynthesis. It is shown that quantum coherence plays an important role in the well-organized arrays of chromophores. Finally, applications of quantum optics to molecular quantum information and quantum biology are examined in relation to emerging interdisciplinary frontiers. Full article
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18 pages, 382 KB  
Article
Self-Organized Criticality and Quantum Coherence in Tubulin Networks Under the Orch-OR Theory
by José Luis Díaz Palencia
AppliedMath 2025, 5(4), 132; https://doi.org/10.3390/appliedmath5040132 - 2 Oct 2025
Cited by 1 | Viewed by 8389
Abstract
We present a theoretical model to explain how tubulin dimers in neuronal microtubules might achieve collective quantum coherence, resulting in wavefunction collapses that manifest as avalanches within a self-organized criticality (SOC) framework. Using the Orchestrated Objective Reduction (Orch-OR) theory as inspiration, we propose [...] Read more.
We present a theoretical model to explain how tubulin dimers in neuronal microtubules might achieve collective quantum coherence, resulting in wavefunction collapses that manifest as avalanches within a self-organized criticality (SOC) framework. Using the Orchestrated Objective Reduction (Orch-OR) theory as inspiration, we propose that microtubule subunits (tubulins) become transiently entangled via dipole–dipole couplings, forming coherent domains susceptible to sudden self-collapse. We model a network of tubulin-like nodes with scale-free (Barabási–Albert) connectivity, each evolving via local coupling and stochastic noise. Near criticality, the system exhibits power-law avalanches—abrupt collective state changes that we identify with instantaneous quantum wavefunction collapse events. Using the Diósi–Penrose gravitational self-energy formula, we estimate objective reduction times TOR=/Eg for these events in the 10–200 ms range, consistent with the Orch-OR conscious moment timescale. Our results demonstrate that quantum coherence at the tubulin level can be amplified by scale-free critical dynamics, providing a possible bridge between sub-neuronal quantum processes and large-scale neural activity. Full article
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27 pages, 5776 KB  
Review
From “Information” to Configuration and Meaning: In Living Systems, the Structure Is the Function
by Paolo Renati and Pierre Madl
Int. J. Mol. Sci. 2025, 26(15), 7319; https://doi.org/10.3390/ijms26157319 - 29 Jul 2025
Cited by 4 | Viewed by 2766
Abstract
In this position paper, we argue that the conventional understanding of ‘information’ (as generally conceived in science, in a digital fashion) is overly simplistic and not consistently applicable to living systems, which are open systems that cannot be reduced to any kind of [...] Read more.
In this position paper, we argue that the conventional understanding of ‘information’ (as generally conceived in science, in a digital fashion) is overly simplistic and not consistently applicable to living systems, which are open systems that cannot be reduced to any kind of ‘portion’ (building block) ascribed to the category of quantity. Instead, it is a matter of relationships and qualities in an indivisible analogical (and ontological) relationship between any presumed ‘software’ and ‘hardware’ (information/matter, psyche/soma). Furthermore, in biological systems, contrary to Shannon’s definition, which is well-suited to telecommunications and informatics, any kind of ‘information’ is the opposite of internal entropy, as it depends directly on order: it is associated with distinction and differentiation, rather than flattening and homogenisation. Moreover, the high degree of structural compartmentalisation of living matter prevents its energetics from being thermodynamically described by using a macroscopic, bulk state function. This requires the Second Principle of Thermodynamics to be redefined in order to make it applicable to living systems. For these reasons, any static, bit-related concept of ‘information’ is inadequate, as it fails to consider the system’s evolution, it being, in essence, the organized coupling to its own environment. From the perspective of quantum field theory (QFT), where many vacuum levels, symmetry breaking, dissipation, coherence and phase transitions can be described, a consistent picture emerges that portrays any living system as a relational process that exists as a flux of context-dependent meanings. This epistemological shift is also associated with a transition away from the ‘particle view’ (first quantisation) characteristic of quantum mechanics (QM) towards the ‘field view’ possible only in QFT (second quantisation). This crucial transition must take place in life sciences, particularly regarding the methodological approaches. Foremost because biological systems cannot be conceived as ‘objects’, but rather as non-confinable processes and relationships. Full article
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31 pages, 11954 KB  
Review
Exploring Spin-Crossover Cobalt(II) Single-Ion Magnets as Multifunctional and Multiresponsive Magnetic Devices: Advancements and Prospects in Molecular Spintronics and Quantum Computing Technologies
by Renato Rabelo, Luminita M. Toma, Abdeslem Bentama, Salah-Eddine Stiriba, Rafael Ruiz-García and Joan Cano
Magnetochemistry 2024, 10(12), 107; https://doi.org/10.3390/magnetochemistry10120107 - 17 Dec 2024
Cited by 12 | Viewed by 7162
Abstract
Spin-crossover (SCO) and single-ion magnets (SIMs), or their mixed SCO-SIM derivatives, are a convenient solution in the evolution from molecular magnetism toward molecular spintronics and quantum computing. Herein, we report on the current trends and future directions on the use of mononuclear six-coordinate [...] Read more.
Spin-crossover (SCO) and single-ion magnets (SIMs), or their mixed SCO-SIM derivatives, are a convenient solution in the evolution from molecular magnetism toward molecular spintronics and quantum computing. Herein, we report on the current trends and future directions on the use of mononuclear six-coordinate CoII SCO-SIM complexes with potential opto-, electro-, or chemo-active 2,6-pyridinediimine (PDI)- and 2,2′:6′,2′-terpyridine (TERPY)-type ligands as archetypical examples of multifunctional and multiresponsive magnetic devices for applications in molecular spintronics and quantum computing technologies. This unique class of spin-crossover cobalt(II) molecular nanomagnets is particularly well suited for addressing and scaling on different supports, like metal molecular junctions or carbon nanomaterials (CNMs) and metal–organic frameworks (MOFs) or metal-covalent organic frameworks (MCOFs), in order to measure the single-molecule electron transport and quantum coherence properties, which are two major challenges in single-molecule spintronics (SMS) and quantum information processing (QIP). Full article
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14 pages, 3096 KB  
Article
Tracking Metabolite Variations during the Degradation of Vegetables in Rice Bran Bed with Intact-State Nuclear Magnetic Resonance Spectroscopy
by Kengo Ito, Ryusei Yamamoto and Yasuyo Sekiyama
Metabolites 2024, 14(7), 391; https://doi.org/10.3390/metabo14070391 - 19 Jul 2024
Cited by 1 | Viewed by 2383
Abstract
Fermentation—a process of compound degradation by microorganisms—is a traditional food processing method utilized worldwide for the long-term preservation of fresh foods. In recent years, fermented foods have gained attention as health foods. Fermentation increases the nutritional value of ingredients, producing complex flavors and [...] Read more.
Fermentation—a process of compound degradation by microorganisms—is a traditional food processing method utilized worldwide for the long-term preservation of fresh foods. In recent years, fermented foods have gained attention as health foods. Fermentation increases the nutritional value of ingredients, producing complex flavors and aromas. To identify unknown components in fermented foods, it is necessary to analyze compounds and conditions nondestructively and comprehensively. We performed intact-state nuclear magnetic resonance (NMR) spectroscopy using intermolecular single quantum coherence (iSQC) to detect the degradation of vegetables directly and nondestructively. We used two types of vegetables and a rice bran bed (nukazuke), which is used for traditional vegetable fermentation in Japan. Major metabolites such as saccharides, organic acids, and amino acids were identified in iSQC-sliced spectra. Comparing NMR signal intensities during degradation revealed the transition of metabolites characteristic of lactic acid fermentation. A pathway-based network analysis showed pathways involved in amino acid metabolism and lactic acid fermentation. Our analytical approach with intact-state NMR spectroscopy using iSQC demonstrated that it may be effective in other experimental systems, allowing for the evaluation of phenomena that have been conventionally overlooked in their true state. Full article
(This article belongs to the Special Issue Emerging Applications of Metabolomics in Fermented Food)
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12 pages, 2610 KB  
Article
Unraveling the Position Effect of Spiroxanthene-Based n-Type Hosts for High-Performance TADF–OLEDs
by Qinglin Liu, Yun Deng, Baoyi Ren, Xia Lan, Yuehong Zhang, Runda Guo, Chensheng Li, Gang Xiong, Yaguang Sun and Zujin Zhao
Nanomaterials 2023, 13(18), 2517; https://doi.org/10.3390/nano13182517 - 8 Sep 2023
Cited by 7 | Viewed by 2498
Abstract
For developing high-performance organic light-emitting diodes (OLEDs) with thermally activated delayed fluorescent (TADF) emitters, the diphenyltriazine (TRZ) unit was introduced onto the 2′- and 3′-positions of xanthene moiety of spiro[fluorene-9,9′-xanthene] (SFX) to construct n-type host molecules, namely 2′-TRZSFX and 3′-TRZSFX. The outward extension [...] Read more.
For developing high-performance organic light-emitting diodes (OLEDs) with thermally activated delayed fluorescent (TADF) emitters, the diphenyltriazine (TRZ) unit was introduced onto the 2′- and 3′-positions of xanthene moiety of spiro[fluorene-9,9′-xanthene] (SFX) to construct n-type host molecules, namely 2′-TRZSFX and 3′-TRZSFX. The outward extension of the TRZ unit, induced by the meta-linkage, resulted in a higher planarity between the TRZ unit and xanthene moiety in the corresponding 3′-TRZSFX. Additionally, this extension led to a perched T1 level, as well as a lower unoccupied molecular orbital (LUMO) level when compared with 2′-TRZSFX. Meanwhile, the 3′-TRZSFX molecules in the crystalline state presented coherent packing along with the interaction between TRZ units; the similar packing motif was spaced apart from xanthene moieties in the 2′-TRZSFX crystal. These endowed 3′-TRZSFX superior electron transport capacity in single-carrier devices relative to the 2′-TRZSFX-based device. Hence, the 3′-TRZSFX-based TADF–OLED showed remarkable electroluminescent (EL) performance under the operating luminance from turn-on to ca. 1000 cd·m−2 with a maximum external quantum efficiency (EQEmax) of 23.0%, thanks to its matched LUMO level with 4CzIPN emitter and better electron transport capacity. Interestingly, the 2′-TRZSFX-based device, with an EQEmax of 18.8%, possessed relatively low roll-off and higher efficiency when the operating luminance exceeded 1000 cd·m−2, which was attributed to the more balanced carrier transport under high operating voltage. These results were elucidated by the analysis of single-crystal structures and the measurements of single-carrier devices, combined with EL performance. The revealed position effect of the TRZ unit on xanthene moiety provides a more informed strategy to develop SFX-based hosts for highly efficient TADF–OLEDs. Full article
(This article belongs to the Special Issue Nanomaterials for Optoelectronic Application)
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19 pages, 2256 KB  
Article
Exploring Proton-Only NMR Experiments and Filters for Daphnia In Vivo: Potential and Limitations
by Kiera Ronda, Katelyn Downey, Amy Jenne, Monica Bastawrous, William W. Wolff, Katrina Steiner, Daniel H. Lysak, Peter M. Costa, Myrna J. Simpson, Karl J. Jobst and Andre J. Simpson
Molecules 2023, 28(12), 4863; https://doi.org/10.3390/molecules28124863 - 20 Jun 2023
Cited by 8 | Viewed by 2968
Abstract
Environmental metabolomics provides insight into how anthropogenic activities have an impact on the health of an organism at the molecular level. Within this field, in vivo NMR stands out as a powerful tool for monitoring real-time changes in an organism’s metabolome. Typically, these [...] Read more.
Environmental metabolomics provides insight into how anthropogenic activities have an impact on the health of an organism at the molecular level. Within this field, in vivo NMR stands out as a powerful tool for monitoring real-time changes in an organism’s metabolome. Typically, these studies use 2D 13C-1H experiments on 13C-enriched organisms. Daphnia are the most studied species, given their widespread use in toxicity testing. However, with COVID-19 and other geopolitical factors, the cost of isotope enrichment increased ~6–7 fold over the last two years, making 13C-enriched cultures difficult to maintain. Thus, it is essential to revisit proton-only in vivo NMR and ask, “Can any metabolic information be obtained from Daphnia using proton-only experiments?”. Two samples are considered here: living and whole reswollen organisms. A range of filters are tested, including relaxation, lipid suppression, multiple-quantum, J-coupling suppression, 2D 1H-1H experiments, selective experiments, and those exploiting intermolecular single-quantum coherence. While most filters improve the ex vivo spectra, only the most complex filters succeed in vivo. If non-enriched organisms must be used, then, DREAMTIME is recommended for targeted monitoring, while IP-iSQC was the only experiment that allowed non-targeted metabolite identification in vivo. This paper is critically important as it documents not just the experiments that succeed in vivo but also those that fail and demonstrates first-hand the difficulties associated with proton-only in vivo NMR. Full article
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20 pages, 11285 KB  
Article
Spectral Domain Optical Coherence Tomography Findings in Vision-Threatening Rhino-Orbital Cerebral Mucor Mycosis—A Prospective Analysis
by Ankur Singh, Preeti Diwaker, Akanksha Agrawal, Aniruddha Agarwal, Jolly Rohatgi, Ramandeep Singh, Gopal Krushna Das, Pramod Kumar Sahoo and Vinod Kumar Arora
Diagnostics 2022, 12(12), 3098; https://doi.org/10.3390/diagnostics12123098 - 8 Dec 2022
Cited by 1 | Viewed by 2555
Abstract
Rhino-orbital cerebral mucor mycosis is a rare disease entity, where retinal involvement is described in the literature mostly as CRAO. However, pathological studies have shown mucor invading the choroid and retina with a neutrophilic reaction. So, it is pertinent that retinal inflammation secondary [...] Read more.
Rhino-orbital cerebral mucor mycosis is a rare disease entity, where retinal involvement is described in the literature mostly as CRAO. However, pathological studies have shown mucor invading the choroid and retina with a neutrophilic reaction. So, it is pertinent that retinal inflammation secondary to invading mucor has some role in microstructural changes seen in the vitreous and retina of these patients. This novel study aims to describe the vitreal and retinal features of patients with vision-threatening rhino-orbital cerebral mucor mycosis and how they evolve on spectral domain optical coherence tomography (SD-OCT). This study shall also provide insight into the pathophysiology of these vitreoretinal manifestations by in vitro analysis of the exenterated orbital content. Fifteen eyes of fifteen patients with vision-threatening ROCM treated with standard care were enrolled in this study and underwent complete ophthalmic examination, serial colour fundus photography, and SD-OCT for both qualitative and quantitative analysis, at baseline and follow-up visits. SD-OCT on serial follow-up revealed thickening and increased inner-retinal reflectivity at presentation followed by thinning of both, other features such as the loss of the inner-retinal organized layer structure, external limiting membrane (ELM) disruption, necrotic spaces in the outer retina, and hyperreflective foci. Vitreous cells with vitreous haze were also seen. There was a significant reduction in CMT, inner and outer retinal thickness, total retinal thickness (all p < 0.05) with time, the quantum of reduction concentrated primarily to the inner retina. In summary, in vivo and in vitro analysis revealed that early microstructural changes were primarily a result of retinal infarctions secondary to thrombotic angioinvasion. With the late microstructural changes, there was possible sequelae of retinal infarction with some contribution from the inflammation, resulting from mucor invading the choroid and retina. Full article
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19 pages, 3691 KB  
Article
Bamboo Lignin Fractions with In Vitro Tyrosinase Inhibition Activity Downregulate Melanogenesis in B16F10 Cells via PKA/CREB Signaling Pathway
by Moon-Hee Choi, Seung-Hwa Yang, Won-Keun Park and Hyun-Jae Shin
Int. J. Mol. Sci. 2022, 23(13), 7462; https://doi.org/10.3390/ijms23137462 - 5 Jul 2022
Cited by 4 | Viewed by 4236
Abstract
Cosmetic ingredients originating from natural resources have garnered considerable attention, and the demand for whitening ingredients is increasing, particularly in Asian countries. Lignin is a natural phenolic biopolymer significantly effective as a natural sunscreen, as its ultraviolet protection efficacy ranges from 250 to [...] Read more.
Cosmetic ingredients originating from natural resources have garnered considerable attention, and the demand for whitening ingredients is increasing, particularly in Asian countries. Lignin is a natural phenolic biopolymer significantly effective as a natural sunscreen, as its ultraviolet protection efficacy ranges from 250 to 400 nm. However, using different types of lignin as cosmetic ingredients is difficult owing to the heterogeneity of lignin and the lack of in vitro and in vivo safety and efficacy data. Thus, steam-exploded lignin (SEL) was prepared from bamboo, fractionated via successive organic solvent extraction, and sequentially fractionated using ethyl acetate, methanol, and acetone to investigate its potential as a natural whitening material. Gel permeation chromatography showed that the molecular weight of acetone-soluble and acetone-insoluble SEL fractions were the lowest and the highest, respectively. Monomer structures of the four lignin fractions were elucidated using 1H, 13C, and 2D heteronuclear single quantum coherence nuclear magnetic resonance and pyrolysis gas chromatography/mass spectrometry. The antioxidant and tyrosinase inhibition activities of the four fractions were compared. The methanol-soluble SEL fraction (SEL-F2) showed the highest antioxidant activity (except 2,2-diphenyl-1-picrylhydrazyl scavenging activity), and the enzyme inhibition kinetics were confirmed. In this study, the expression pattern of the anti-melanogenic-related proteins by SEL-F2 was confirmed for the first time via the protein kinase A (PKA)/cAMP-response element-binding (CREB) protein signaling pathway in B16F10 melanoma cells. Thus, SEL may serve as a valuable cosmetic whitening ingredient. Full article
(This article belongs to the Special Issue Melanins and Melanogenesis 3.0: From Nature to Applications)
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14 pages, 3596 KB  
Article
Novel Oxime Synthesized from a Natural Product of Senecio nutans SCh. Bip. (Asteraceae) Enhances Vascular Relaxation in Rats by an Endothelium-Independent Mechanism
by Javier Palacios, Adrián Paredes, Marcelo A. Catalán, Chukwuemeka R. Nwokocha and Fredi Cifuentes
Molecules 2022, 27(10), 3333; https://doi.org/10.3390/molecules27103333 - 22 May 2022
Cited by 6 | Viewed by 3484
Abstract
Senecio nutans Sch. Bip. and its constituents are reported to have antihypertensive effects. We isolated metabolite–1, a natural compound from S. nutans (4-hydroxy-3-(isopenten-2-yl)-acetophenone), and synthesized novel oxime – 1 (4-hydroxy-3-(isopenten-2-yl)-acetophenoxime) to evaluate their effect on vascular reactivity. Compounds were purified (metabolite–1) or synthetized [...] Read more.
Senecio nutans Sch. Bip. and its constituents are reported to have antihypertensive effects. We isolated metabolite–1, a natural compound from S. nutans (4-hydroxy-3-(isopenten-2-yl)-acetophenone), and synthesized novel oxime – 1 (4-hydroxy-3-(isopenten-2-yl)-acetophenoxime) to evaluate their effect on vascular reactivity. Compounds were purified (metabolite–1) or synthetized (oxime–1) and characterized using IR and NMR spectroscopy and Heteronuclear Multiple Quantum Coherence (HMQC). Using pharmacological agents such as phenylephrine (PE) and KCl (enhancing contraction), acetylcholine (ACh), L-NAME (nitric oxide (NO) and endothelial function), Bay K8644-induced CaV1.2 channel (calcium channel modulator), and isolated aortic rings in an organ bath setup, the possible mechanisms of vascular action were determined. Pre-incubation of aortic rings with 10−5 M oxime–1 significantly (p < 0.001) decreased the contractile response to 30 mM KCl. EC50 to KCl significantly (p < 0.01) increased in the presence of oxime–1 (37.72 ± 2.10 mM) compared to that obtained under control conditions (22.37 ± 1.40 mM). Oxime–1 significantly reduced (p < 0.001) the contractile response to different concentrations of PE (10−7 to 10−5 M) by a mechanism that decreases Cav1.2-mediated Ca2+ influx from the extracellular space and reduces Ca2+ release from intracellular stores. At a submaximal concentration (10−5 M), oxime–1 caused a significant relaxation in rat aorta even without vascular endothelium or after pre-incubate the tissue with L-NAME. Oxime–1 decreases the contractile response to PE by blunting the release of Ca2+ from intracellular stores and blocking of Ca2+ influx by channels. Metabolite–1 reduces the contractile response to KCl, apparently by reducing the plasma membrane depolarization and Ca2+ influx from the extracellular space. These acetophenone derivates from S. nutans (metabolite–1 and oxime–1) cause vasorelaxation through pathways involving an increase of the endothelial NO generation or a higher bioavailability, further highlighting that structural modification of naturally occurring metabolites can enhance their intended pharmacological functions. Full article
(This article belongs to the Section Natural Products Chemistry)
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