gebhart/patrepeval huggingface dataset:
Characterizing the Deformational Isomers of Bimetallic Ir<sub>2</sub>(dimen)<sub>4</sub><sup>2+</sup> (dimen = 1,8-diisocyano-<i>p</i>-menthane) with Vibrational Wavepacket Dynamics (2011)

We studied the Ir(2)(dimen)(4)(2+) complex with ultrafast transient absorption spectroscopy and density functional theory and concluded that it possesses two singlet ground state isomers in room temperature solution. The molecule can adopt either a paddle wheel or a propeller conformation in solution, where the paddle wheel structure possesses a metal-metal bond of 4.4 Å and a dihedral angle between the quasi-C(4v) planes of 0° and the propeller structure has a metal-metal bond of 3.6 Å and a dihedral angle of 17° when crystallized. Each conformation has a distinct absorption in the visible attributed to a (1)(dσ(z)* → pσ(z)) excitation, with the long eclipsed structure absorbing at 475 nm and the short twisted structure absorbing at 585 nm. We independently pumped at each of these visible transitions to form vibrational wavepackets on the ground and excited state potential energy surfaces, which modulated the ground state bleach and stimulated emission signals, respectively. We found that the ground state wavepacket oscillates with a frequency of 48 cm(-1) when pumping the red peak and 11 cm(-1) when pumping the blue peak. We assign these frequencies to the Ir-Ir symmetric stretch, with the variation in frequency reflecting the variation in metal-metal bond strength in support of our assignment of the blue peak to the longer Ir-Ir bond length conformer and the red peak to the shorter Ir-Ir bond length conformer. When pumping the red peak, we found two modes with frequencies of 80 and 119 cm(-1) in the stimulated emission and only one mode at 75 cm(-1) when pumping the blue peak. We assign the 75-80 cm(-1) frequency to the Ir-Ir stretch and the 119 cm(-1) vibration to the dihedral angle twist in the excited state. The variation in the excited state dynamics does not result from the excitation of different electronic states, but rather from excitation to different Franck-Condon regions of the same electronic excited state potential energy surface. This occurs because of the large difference in ground state molecular structure. DFT calculations support the existence of a single electronic excited state being accessed from two distinct structural isomers with conformations similar to those observed with X-ray crystallography.
Lack of direct involvement of a diazepam long-term treatment in the occurrence of irreversible cognitive impairment: a pre-clinical approach (2021)

Several observational studies have found a link between the long-term use of benzodiazepines and dementia, which remains controversial. Our study was designed to assess (i) whether the long-term use of benzodiazepines, at two different doses, has an irreversible effect on cognition, (ii) and whether there is an age-dependent effect. One hundred and five C57Bl/6 male mice were randomly assigned to the 15 mg/kg/day, the 30 mg/kg/day diazepam-supplemented pellets, or the control group. Each group comprised mice aged 6 or 12 months at the beginning of the experiments and treated for 16 weeks. Two sessions of behavioral assessment were conducted: after 8 weeks of treatment and after treatment completion following a 1-week wash-out period. The mid-treatment test battery included the elevated plus maze test, the Y maze spontaneous alternation test, and the open field test. The post-treatment battery was upgraded with three additional tests: the novel object recognition task, the Barnes maze test, and the touchscreen-based paired-associated learning task. At mid-treatment, working memory was impaired in the 15 mg/kg diazepam group compared to the control group (p = 0.005). No age effect was evidenced. The post-treatment assessment of cognitive functions (working memory, visual recognition memory, spatial reference learning and memory, and visuospatial memory) did not significantly differ between groups. Despite a cognitive impact during treatment, the lack of cognitive impairment after long-term treatment discontinuation suggests that benzodiazepines alone do not cause irreversible deleterious effects on cognitive functions and supports the interest of discontinuation in chronically treated patients.
Acceptance and Perception of Artificial Intelligence Usability in Eye Care (APPRAISE) for Ophthalmologists: A Multinational Perspective (2022)

Ophthalmologists are receptive to adopting AI as assistive tools for DR, glaucoma, and AMD. Furthermore, ML is a useful method that can be applied to evaluate predictive factors on clinical qualitative questionnaires. This study outlines actionable insights for future research and facilitation interventions to drive adoption and operationalization of AI tools for Ophthalmology.
CO<sub>2</sub>Splitting via the Solar Thermochemical Cycle Based on Zn/ZnO Redox Reactions (2010)

A two-step thermochemical cycle for splitting CO2 and processing into solar fuels via ZnO/Zn redox reactions is considered. The first, solar step is the endothermic dissociation of ZnO to Zn and O2. The second, non-solar step is the exothermic reduction of CO2 with Zn to CO and ZnO; the latter is recycled to the solar step. The thermodynamics and kinetics of the pertinent reactions are examined and the reactor technology for both steps of the cycle is described and an outlook for the future is provided.
Chemotherapy for resistant or recurrent gestational trophoblastic neoplasia (2016)

RCTs in GTN are scarce owing to the low prevalence of this disease and its highly chemosensitive nature. As chemotherapeutic agents may be associated with substantial side effects, the ideal treatment should achieve maximum efficacy with minimal side effects. For methotrexate-resistant or recurrent low-risk GTN, a common practice is to use sequential five-day dactinomycin, followed by MAC (methotrexate, dactinomycin, cyclophosphamide) or EMA/CO (etoposide, methotrexate, dactinomycin, cyclophosphamide, vinblastine) if further salvage therapy is required. However, five-day dactinomycin is associated with more side effects than pulsed dactinomycin, therefore an RCT comparing the relative efficacy and safety of these two regimens in the context of failed primary methotrexate treatment is desirable.For high-risk GTN, EMA/CO is the most commonly used first-line therapy, with platinum-etoposide combinations, particularly EMA/EP (etoposide, methotrexate, dactinomycin/etoposide, cisplatin), being favoured as salvage therapy. Alternatives, including TP/TE (paclitaxel, cisplatin/ paclitaxel, etoposide), BEP (bleomycin, etoposide, cisplatin), FAEV (floxuridine, dactinomycin, etoposide, vincristine) and FA (5-fluorouracil (5-FU), dactinomycin), may be as effective as EMA/EP and associated with fewer side effects; however, this is not clear from the available evidence and needs testing in well-designed RCTs. In the UK, an RCT comparing interventions for resistant/recurrent GTN will be very challenging owing to the small numbers of patients with this scenario. International multicentre collaboration is therefore needed to provide the high-quality evidence required to determine which salvage regimen/s have the best effectiveness-to-toxicity ratio in low- and high-risk disease. Future research should include economic evaluations and long-term surveillance for secondary neoplasms.
The mechanism of gentisic acid-induced relaxation of the guinea pig isolated trachea: the role of potassium channels and vasoactive intestinal peptide receptors (2001)

We examined some of the mechanisms by which the aspirin metabolite and the naturally occurring metabolite gentisic acid induced relaxation of the guinea pig trachea in vitro. In preparations with or without epithelium and contracted by histamine, gentisic acid caused concentration-dependent and reproducible relaxation, with mean EC(50) values of 18 microM and E(max) of 100% (N = 10) or 20 microM and E(max) of 92% (N = 10), respectively. The relaxation caused by gentisic acid was of slow onset in comparison to that caused by norepinephrine, theophylline or vasoactive intestinal peptide (VIP). The relative rank order of potency was: salbutamol 7.9 > VIP 7.0 > gentisic acid 4.7 > theophylline 3.7. Gentisic acid-induced relaxation was markedly reduced (24 +/- 7.0, 43 +/- 3.9 and 78 +/- 5.6%) in preparations with elevated potassium concentration in the medium (20, 40 or 80 mM, respectively). Tetraethylammonium (100 microM), a nonselective blocker of the potassium channels, partially inhibited the relaxation response to gentisic acid, while 4-AP (10 microM), a blocker of the voltage potassium channel, inhibited gentisic acid-induced relaxation by 41 +/- 12%. Glibenclamide (1 or 3 microM), at a concentration which markedly inhibited the relaxation induced by the opener of ATP-sensitive K(+) channels, levcromakalim, had no effect on the relaxation induced by gentisic acid. Charybdotoxin (0.1 or 0.3 microM), a selective blocker of the large-conductance Ca(2+)-activated K(+) channels, caused rightward shifts (6- and 7-fold) of the gentisic acid concentration-relaxation curve. L-N(G)-nitroarginine (100 microM), a NO synthase inhibitor, had no effect on the relaxant effect of gentisic acid, and caused a slight displacement to the right in the relaxant effect of the gentisic acid curve at 300 microM, while methylene blue (10 or 30 microM) or ODQ (1 microM), the inhibitors of soluble guanylate cyclase, all failed to affect gentisic acid-induced relaxation. D-(P)-Cl-Phe(6),Leu(17)[VIP] (0.1 microM), a VIP receptor antagonist, significantly inhibited (37 +/- 7%) relaxation induced by gentisic acid, whereas CGRP (8-37) (0.1 microM), a CGRP antagonist, only slightly enhanced the action of gentisic acid. Taken together, these results provide functional evidence for the direct activation of voltage and large-conductance Ca(+2)-activated K(+) channels, or indirect modulation of potassium channels induced by VIP receptors and accounts for the predominant relaxation response caused by gentisic acid in the guinea pig trachea.
PapB paralogues and their effect on the phase variation of type 1 fimbriae in <i>Escherichia coli</i> (2001)

Recent work has demonstrated that expression of type 1 fimbriae is repressed by PapB, a regulator of pyelonephritis‐associated pili (P‐pili). PapB belongs to family of related adhesin regulators, for which consensus residues required for DNA binding and oligomerization have been identified. Of the regulators tested in this study, PapB, SfaB (S‐fimbriae) and PefB ( Salmonella enterica serovar Typhimurium – p lasmid‐ e ncoded f imbriae) repressed FimB‐promoted off‐to‐on inversion of the fim switch, although complete repression was only demonstrated by PapB. DaaA, FaeB, FanA, FanB and ClpB had no effect on fim switching. In addition, only PapB stimulated FimE‐promoted on‐to‐off inversion. Deletion analysis demonstrated that this specificity resides in the carboxy terminal of the protein, and not the amino terminal, with the central region being homologous among the family members. Exchange of Leu 82 and Ile 83 of PapB for the equivalent residues from the DaaA protein (Phe and Gln) within the carboxy terminal virtually abolished cross‐talk activity. Whereas PapB can bind to a region around the left inverted repeat of the fim switch, DaaA and the PapB double mutant were effectively unable to bind this region. A previously characterized PapB DNA binding mutant also failed to bind to this region and failed to inhibit FimB activity at the fim switch. Thus, repression of fim expression appears unique to PapB and SfaB within E. coli and requires DNA binding involving amino acid residues located both within the homologous core and in the heterogeneous carboxy terminus. The variation in the carboxy terminus between the PapB family members explains their differential effects on fim . This mechanism of cross‐talk seems restricted to the P and S family adhesins with type 1 fimbriae and may ensure variable and sequential expression of adhesins during urinary tract infections.
A Machine Learning Approach to GNSS Functional Safety (2019)

Emerging applications in the automotive environment (ADAS, autonomous driving, etc.), are requiring high GNSS accuracy in conjunction with high reliability. For that reason, this kind of applications are demanding for GNSS receivers with enhanced safety, as specified by the automotive functional safety standards, and in particular by the ISO 26262 standard. In order to meet this requirement, an additional security, integrity and safety (SIS) layer has been added to the GNSS receiver to monitor, detect, estimate the risk, and switch to a safe state when integrity appears to be compromised. In this contribution, the evaluation and detection of the risk will be implemented using a two different machine learning approaches, i.e. using two different kind of deep neural network (DNN), the first using supervised learning and the second using unsupervised learning. Machine learning is used in many ADAS systems, and it is an enabling feature for the overall autonomous driving industry. Moreover, the complexity of the network for both approaches will be kept into account, because they have to be deployed on a GNSS receiver hardware, which has memory and computational capacity constraints. At the end, the performances of the two proposed approaches will be illustrated, and the results will be compared to a logistic regression solution used as baseline, to show the large improvement in accuracy provided by both solutions. Finally, the advantages and disadvantages of each approach and the future development of such approaches will be discussed.
Novel Opipramol-Baclofen Combination Alleviates Depression and Craving and Facilitates Recovery From Substance Use Disorder—An Animal Model and a Human Study (2021)

Substance use disorders (SUDs) are associated with depression and anxiety, with the latter being one of the major factors in substance-seeking and relapse. Due to dose-dependent sedative side effects there is limited efficacy of baclofen treatment for SUDs. Here we suggest the use of a novel combination of opipramol and baclofen (O/B) which is known to attenuate anxiety and depression, for the facilitation of recovery from SUDs. Since both opipramol and baclofen have a common downstream signal transduction, their individual doses could be reduced while still maintaining the benefits of the combination. We tested the O/B combination in both animals and patients. Rats treated with O/B showed significant attenuation in craving behavior and in relapse rate during withdrawal from cocaine. In a double-blind, placebo-controlled pilot study, conducted in a residential detoxification center, 14 males and 3 females, aged 28-60 years were assigned to a study (<i>n</i> = 6) and a placebo (<i>n</i> = 11) group (placebo group: 40 ± 10.5 years; O/B group 40 ± 10.8 years). The participants completed scales measuring depression, anxiety and craving symptoms and provided saliva samples for stress hormone examination [cortisol and dehydroepiandrosterone-sulfate (DHEA-S)]. Participants with polysubstance use disorder (PsUD) treated with O/B showed a reduction in cravings and depression and an increase in DHEA-S and in the DHEA-S/cortisol ratio. Our findings indicate a beneficial effect of O/B treatment. This study suggests a novel candidate for pharmacological treatment of patients with SUD and comorbid mood/anxiety disorders that may facilitate their rehabilitation.
Ultra-high contrast retinal display system for single photoreceptor psychophysics (2017)

Due to the enormous dynamic range of human photoreceptors in response to light, studying their visual function in the intact retina challenges the stimulation hardware, specifically with regard to the displayable luminance contrast. The adaptive optics scanning laser ophthalmoscope (AOSLO) is an optical platform that focuses light to extremely small retinal extents, approaching the size of single photoreceptor cells. However, the current light modulation techniques produce spurious visible backgrounds which fundamentally limit experimental options. To remove unwanted background light and to improve contrast for high dynamic range visual stimulation in an AOSLO, we cascaded two commercial fiber-coupled acousto-optic modulators (AOMs) and measured their combined optical contrast. By compensating for zero-point differences in the individual AOMs, we demonstrate a multiplicative extinction ratio in the cascade that was in accordance with the extinction ratios of both single AOMs. When latency differences in the AOM response functions were individually corrected, single switch events as short as 50 ns with radiant power contrasts up to 1:10<sup>10</sup> were achieved. This is the highest visual contrast reported for any display system so far. We show psychophysically that this contrast ratio is sufficient to stimulate single foveal photoreceptor cells with small and bright enough visible targets that do not contain a detectable background. Background-free stimulation will enable photoreceptor testing with custom adaptation lights. Furthermore, a larger dynamic range in displayable light levels can drive photoreceptor responses in cones as well as in rods.
Uso de Nanopartículas Superparamagnéticas na Revelação de mpressões Dígito-Papilares Latentes (2020)

As impressões dígito-papilares constituem um vestígio morfológico de extrema importância em um local de crime, visto que, em função de suas características particulares, permitem a identificação de autoria do delito que gerou a força motriz da investigação pericial. Embora existam diversas técnicas para revelação e levantamento de impressões dígito-papilares latentes, o aprimoramento e atualização dessas técnicas pode subsidiar metodologias mais versáteis, que permitam maximizar a abrangência e potencializar o uso de instrumentação de campo para busca desse tipo de vestígio. Nesse artigo, demonstramos que nanopartículas superparamagnéticas constituídas por Magnetita podem ser empregadas, com auxílio de um aplicador dotado de magneto em sua extremidade (Pincel magnético) para revelação de impressões dígito-papilares, com qualidade semelhante à obtida empregando-se pó comercial preto (Sirchie) baseado em limalhas de ferro metálico, permitindo vantagens em termos de processamento e custo.
Homonuclear Decoupling of <sup>1</sup>H Dipolar Interactions in Solids by means of Heteronuclear Recoupling (2014)

Abstract Line narrowing has been traditionally achieved in solid‐state 1 H NMR spectroscopy by applying pulse sequences that combine multiple‐pulse operations with magic‐angle spinning (MAS), to effectively average out the dipoledipole homonuclear Hamiltonian. The present study explores a new alternative that departs from the usual concept of directly acting on the strongly coupled spins with radiofrequency pulses; instead, we seek to achieve a net homonuclear dipolar decoupling in solids by exploring the reintroduction of MAS‐averaged heteronuclear dipolar couplings between the 1 H nuclei and directly bonded 13 C or 15 N nuclei. This recouplinganti‐recoupling (RaR) scheme thus relies on the recoupling of the dipolar interaction with heteronuclear spins, which, under fast MAS, will exceed the strength and will not commute with the homonuclear 1 H 1 H coupling one is intending to average out. Subsequent removal (“antiRecoupling”) of these heteronuclear interactions can lead to narrowed 1 H resonances, without ever pulsing on the aforementioned channel. The line‐narrowing properties of RaR are illustrated with numerical simulations and with experiments on model organic solids.
BinaryRelax: A Relaxation Approach for Training Deep Neural Networks with Quantized Weights (2018)

We propose BinaryRelax, a simple two-phase algorithm, for training deep neural networks with quantized weights. The set constraint that characterizes the quantization of weights is not imposed until the late stage of training, and a sequence of pseudo quantized weights is maintained. Specifically, we relax the hard constraint into a continuous regularizer via a Moreau envelope, which turns out to be the squared Euclidean distance to the set of quantized weights. The pseudo quantized weights are obtained by linearly interpolating between the float weights and their quantizations. A continuation strategy is adopted to push the weights toward the quantized state by gradually increasing the regularization parameter. In the second phase, an exact quantization scheme with a small learning rate is invoked to guarantee fully quantized weights. We test BinaryRelax on the benchmark CIFAR and ImageNet color image datasets to demonstrate the superiority of the relaxed quantization approach and the improved accuracy over the state-of-the-art training methods. Finally, we prove the convergence of BinaryRelax under an approximate orthogonality condition.
Identification of lateral vibration modes of piezoelectric composites 1-3 and their effects (1994)

Piezocomposites polymer-ceramic 1-3 show high potential for use in many applications. Besides the existence of thickness and planar modes, they have lateral modes due to ceramic rod's periodicity, which affects its efficiency. Piezocomposites 1-3 (polyurethane-PZT) were prepared with ceramic concentrations varying between 11 and 42 vol %. All the samples disk with 27 mm in diameter, contained the same ceramic rod geometry. The electric impedance spectrum of airbacked piezocomposite was determined, the vibrational modes perturb the behavior of the spectrum and modify the thickness resonant mode. These perturbations were detected in emission and reception of acousto-electric spectra. The dependence of lateral modes frequencies with ceramic's rod periodicity was determined. As happens with thickness mode, the coincidence between emission and electric resonance frequencies and between reception resonance and electric antiresonance frequencies of the lateral modes was highly remarkable. The radiation pattern profile was also measured to identify the effects of these lateral modes
Nonlinear Optics with 2D Layered Materials (2018)

2D layered materials (2DLMs) are a subject of intense research for a wide variety of applications (e.g., electronics, photonics, and optoelectronics) due to their unique physical properties. Most recently, increasing research efforts on 2DLMs are projected toward the nonlinear optical properties of 2DLMs, which are not only fascinating from the fundamental science point of view but also intriguing for various potential applications. Here, the current state of the art in the field of nonlinear optics based on 2DLMs and their hybrid structures (e.g., mixed-dimensional heterostructures, plasmonic structures, and silicon/fiber integrated structures) is reviewed. Several potential perspectives and possible future research directions of these promising nanomaterials for nonlinear optics are also presented.