gebhart/patrepeval huggingface dataset:
Bis(N-methylethylenediaminesalicylaldiminato)iron(III) complexes. Magnetic, Moessbauer, and intersystem crossing rate studies in the solid and solution states for a new (S = 1/2) .dblarw. (S = 5/2) spin-equilibrium case (1978)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTBis(N-methylethylenediaminesalicylaldiminato)iron(III) complexes. Magnetic, Moessbauer, and intersystem crossing rate studies in the solid and solution states for a new (S = 1/2) .dblarw. (S = 5/2) spin-equilibrium caseRandall H. Petty, Eric V. Dose, Michael F. Tweedle, and Lon J. WilsonCite this: Inorg. Chem. 1978, 17, 4, 1064–1071Publication Date (Print):April 1, 1978Publication History Published online1 May 2002Published inissue 1 April 1978https://pubs.acs.org/doi/10.1021/ic50182a053https://doi.org/10.1021/ic50182a053research-articleACS PublicationsRequest reuse permissionsArticle Views157Altmetric-Citations43LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose Get e-Alerts
CASTELO: Clustered Atom Subtypes aidEd Lead Optimization -- a combined machine learning and molecular modeling method (2020)

Drug discovery is a multi-stage process that comprises two costly major steps: pre-clinical research and clinical trials. Among its stages, lead optimization easily consumes more than half of the pre-clinical budget. We propose a combined machine learning and molecular modeling approach that automates lead optimization workflow \textit{in silico}. The initial data collection is achieved with physics-based molecular dynamics (MD) simulation. Contact matrices are calculated as the preliminary features extracted from the simulations. To take advantage of the temporal information from the simulations, we enhanced contact matrices data with temporal dynamism representation, which are then modeled with unsupervised convolutional variational autoencoder (CVAE). Finally, conventional clustering method and CVAE-based clustering method are compared with metrics to rank the submolecular structures and propose potential candidates for lead optimization. With no need for extensive structure-activity relationship database, our method provides new hints for drug modification hotspots which can be used to improve drug efficacy. Our workflow can potentially reduce the lead optimization turnaround time from months/years to days compared with the conventional labor-intensive process and thus can potentially become a valuable tool for medical researchers.
Characterizing the effects of disorder in metamaterial structures (2007)

We investigate the effects of disorder on metamaterial samples composed of split ring resonators with randomly introduced variation in their geometrical dimensions. We demonstrate that disorder broadens the negative permeability band and introduces effective losses into the system. Transmission measurements on samples with varying degrees of disorder are found to be in excellent agreement with predictions based on standard homogenization theories.
Experimental Colorless Reception of 16×DP-16QAM at 28 and 30 Gbaud Using a Si-Integrated Coherent Receiver (2013)

We experimentally study the performance of a colorless Si-based integrated balanced coherent receiver. The receiver performs error free on 16 DP-16QAM channels after 1280 km, providing 3.2 Tbps. LO power and channel count dependence are investigated.
Improved Linear Cryptanalysis of SMS4 Block Cipher (2011)

SMS4 is a block cipher standard used for wireless communications in China. We analyze a reduced versions of SMS4 by the multidimensional linear cryptanalysis method. Our analysis shows that the 23-round of SMS4 can be attacked with 2 data complexity and time complexity less than exhaustive search.
Colloidal quantum dots decorated micro‐ring resonators for efficient integrated waveguides excitation (2020)

Abstract Micro‐ring resonators made of titanium dioxide were decorated with local light sources comprising CdSe/CdS colloidal quantum dot aggregates. The active micro‐resonators are operated to achieve efficient evanescent excitation of nearby co‐planar integrated waveguides. Coupled‐mode analysis and numerical simulations are used to capture the dynamic of the optical interaction between locally activated resonators and integrated waveguides. In this context, we exemplify the key role of resonator intrinsic loss. Next, we show that locally activated or bus‐waveguide excited resonators are in optimum waveguide interaction for the same so‐called critical coupling condition, although the physical origin of this property is different for each configuration. More importantly, we found that a locally activated resonator is a fabrication imperfection tolerant configuration for the coupling light of local sources into waveguides. This remarkable property originates from the opposite change of the power cycling into the resonator and the waveguide coupling efficiency as a function of the resonator‐waveguide separation gap. By operating an 8‐μm‐radius ring resonator with loaded quality factors around Q = 2100, we experimentally demonstrate a 5.5‐dB enhancement of the power coupled into the output waveguide compared to a direct local source waveguide excitation.
Combination of biomarker with clinical risk factors for prediction of severe acute kidney injury in critically ill patients (2020)

Although NephroCheck is an effective screening tool for recognizing high-risk patients, we found that combination with biomarker and risk factors (age > 65 years, CKD, procalcitonin positive) for risk assessment of AKI has the greatest significance to patients with uncertain disease trajectories.
Signal propagation and noise accumulation in amplified lightwave systems (1990)

Lightwave systems using optical amplifiers as repeaters offer the advantage of ease of capacity enhancement through the use of either high data rates or wavelength-multiplexed channels. Besides optical fiber nonlinearities, potential limitations of such lightwave systems include the effects of optical amplifier saturation and the accumulation of amplified spontaneous emission. Simulations show that transmission at gigabit-per-second rates over transoceanic distances is possible if erbium-doped fiber amplifiers are used as repeaters. The upper limit on amplifier spacing imposed by noise accumulation is approximately 100 km for a 10000 km, 2.5 Gb/s transmission system. Reduced amplifier spacing lowers the total noise and expands the range of signal powers that satisfy the required signal-to-noise ratio and constraints related to optical-fiber nonlinearities. Best noise performance is obtained with distributed amplification in which the transmission fiber is lightly doped with erbium and optically pumped, so that the gain just compensates the loss. Depending on the supervisory methods, amplified lightwave systems might be operated with regulated optical power or might be free-running, a choice that affects the signal power, efficiency, saturation, and noise figure of the fiber amplifier.
A simulation environment for modeling and development of algorithms for ensembles of mobile microsystems (2009)

The vision for the Micro Autonomous Systems Technologies MAST programis to develop autonomous, multifunctional, collaborative ensembles of agile, mobile microsystems to enhance tactical situational awareness in urban and complex terrain for small unit operations. Central to this vision is the ability to have multiple, heterogeneous autonomous assets to function as a single cohesive unit, that is adaptable, responsive to human commands and resilient to adversarial conditions. This paper represents an effort to develop a simulation environment for studying control, sensing, communication, perception, and planning methodologies and algorithms.
In vitro degradation of glycine/DL‐lactic acid copolymers (1990)

The in vitro degradation of glycine-DL-lactic acid copolymers was studied as a function of the composition. These polydepsipeptides were prepared by ring-opening copolymerization of 6-methyl-2,5-morpholinedione and DL-lactide. The degradation of discs of the copolymers was performed in a phosphate buffer at pH 7.4 and 37 degrees C. The decrease in molecular weight and weight was determined until complete weight loss had occurred. Poly(DL-lactide) was used as a reference material. All (co)-polymers show an immediate decrease in molecular weight, whereas the weight remains almost unchanged during a longer period of time. Decrease in weight started earlier as the glycine content of the co-polymer increased. The lactic acid content of the residual material increased during the weight loss showing a higher solubility of polymer fragments with a relatively high content of glycine residues. From the hydrolysis constants it was concluded that the degradation was best described by hydrolysis of ester bonds via a bulk erosion process, autocatalyzed by the generated carboxylic acid end groups. The rate constants varied from 4-7 X 10(-2) (day-1) for all (co)polymers. All (co)polymers show an increase in the molecular weight distribution upon weight loss.
Study of the mechanochemical formation and resulting properties of an archetypal MOF: Cu3(BTC)2 (BTC = 1,3,5-benzenetricarboxylate) (2010)

A study of MOF formation by grinding together solid reactants in a ball mill reveals interesting aspects of morphology and reactivity; the product could also be activated to exhibit appreciable surface area (>1300 m2 g−1) although washing with solvent was required.
Adrenomedullin functions as an important tumor survival factor in human carcinogenesis (2002)

Adrenomedullin (AM) is a pluripotent regulatory peptide initially isolated from a human pheochromocytoma (adrenal tumor) and subsequently shown to play a critical role in cancer cell division, tumor neovascularization, and circumvention of programmed cell death, thus it is an important tumor cell survival factor underlying human carcinogenesis. A variety of neural and epithelial cancers have been shown to produce abundant amounts of AM. Recent findings have implicated elevation of serum AM with the onset of malignant expression. In addition, patients with tumors producing high levels of this peptide have a poor prognostic clinical outcome. Given that most human epithelial cancers display a microenvironment of reduced oxygen tension, it is interesting to note that AM and several of its receptors are upregulated during hypoxic insult. The existence of such a regulatory pathway has been implicated as the basis for the overexpression of AM/AM-R in human malignancies, thereby generating a subsequent autocrine/paracrine growth advantage for the tumor cell. Furthermore, AM has been implicated as a potential immune suppressor substance, inhibiting macrophage function and acting as a newly identified negative regulator of the complement cascade, protective properties which may help cancer cells to circumvent immune surveillance. Hence, AM's traditional participation in normal physiology (cited elsewhere in this issue) can be extended to a primary player in human carcinogenesis and may have clinical relevance as a biological target for the intervention of tumor progression.
Abstract 3407: Induction of G-protein coupled receptor-64 (GPR64) in Ewing Tumors supports angiogenesis and metastatic spread (2010)

Abstract Metastatic spread in Ewing Tumors (ET) is mostly hematogenous and malignant features have been shown to correlate with hypoxia and angiogenesis. Our microarray analysis confirmed an endothelial signature of this tumor and revealed the G-protein coupled receptor-64 (GPR64), an orphan receptor with normal expression restricted to human epididymis, to be highly induced in ET. Down-regulation of GPR64 in ET lines by RNA interference did not reduce their proliferative capacity in vitro as measured by plastic adherence dependent proliferation or contact independent growth in colony forming assays. However, inhibition of GPR64 expression impaired endothelial differentiation of ET in tube forming assays. Furthermore, GPR64 suppression inhibited local tumor development and metastatic spread of ET in immuno-deficient Rag2−/−γC−/− mice. The observed inhibition of metastatic spread correlated with a reduced proteolytic activity and invasiveness of such cells in vitro. Further microarray analysis after GPR64 knock down revealed a GPR64-mediated induction of VGEF receptor 1 ligand Placental Growth Factor (PGF) in ET. PGF itself was found to be induced by EWS-FLI1 in mesenchymal stem cells. Subsequent repression of PGF expression resulted in a phenotype of ET similar to the one observed after GPR64 knock down. GPR64 induction in ET supports invasiveness and shapes angiogenesis by induction of critical effectors. It therefore seems to play a central role in the pathogenesis of this tumor. Note: This abstract was not presented at the AACR 101st Annual Meeting 2010 because the presenter was unable to attend. Citation Format: {Authors}. {Abstract title} [abstract]. In: Proceedings of the 101st Annual Meeting of the American Association for Cancer Research; 2010 Apr 17-21; Washington, DC. Philadelphia (PA): AACR; Cancer Res 2010;70(8 Suppl):Abstract nr 3407.
Degradation of Electrochemical Properties upon Aging of LFP and LNMCO Cathode Materials for Li-Ion Batteries (2010)

Abstract not Available.
Cryptic XPO1-MLLT10 translocation is associated with HOXA locus deregulation in T-ALL (2014)

International audience
Acoustics of Shaheed Smarak Hall at Jabalpur (1957)

AbstractThe paper relates to investigations made regarding the acoustics of the hall and the measures adopted to improve the same.The three main factors responsible for acoustic condition, namely (a) the reverberation time, (b) the distribution of sound pressure level and (c) the noise level, were studied. Measurements were taken when the hall was completely empty. The intelligibility was found to be poor, the main cause being the excessive reverberation. Based on these results, an estimate was made of the reverberation time that may be expected after furnishing it with the chairs and with audience present. Attempt was made to provide as much of the additional absorption necessary, as was possible with such objects as carpets, curtains, hangings, etc. Only the remaining amount of absorption was provided by treating with acoustical tiles, without affecting the architecture of the hall.Several sets of measurements were taken under different conditions of the hall during the execution of the suggestions and the results are also presented. These results, at each stage, are compared with the original estimate. The results of measurements made after the completion of the work are presented. The acoustic condition of the hall was found to be quite satisfactory after the modifications.
Layer-by-layer growth of GaN induced by silicon (2000)

We present in situ x-ray scattering studies of surface morphology evolution during metal–organic chemical vapor deposition of GaN. Dosing the GaN(0001) surface with Si is shown to change the growth mode from step-flow to layer-by-layer over a wide temperature range. Annealing of highly doped layers causes Si to segregate to the surface, which also induces layer-by-layer growth.
Co-optimisation de l'engagement de production et de la capacité de stockage associée à une ferme photovoltaïque, prenant en compte le vieillissement de la batterie. (2014)

Afin de satisfaire à un engagement de production en trapèze, on adjoint une batterie à une centrale photovoltaïque. Cette étude vise à établir un dimensionnement optimal de cette batterie en considérant deux critères antagonistes : l'énergie délestée et l'usure du système de stockage. L'engagement optimal dépendant de la capacité de stockage disponible, une co-optimisation est mise en place afin de proposer le meilleur engagement quelle que soit la capacité, et non pas un engagement issu d'une loi de gestion simplifiée. Par ailleurs, l'influence du modèle d'endommagement de la batterie est explorée. Trois modèles de vieillissement en cyclage sont comparés et leur influence sur le dimensionnement optimal étudiée. Il apparait qu'un modèle de vieillissement extrêmement simple permet d'obtenir des dimensionnements cohérents et de corriger significativement le résultat qui aurait été obtenu en l'absence de toute prise en compte de l'endommagement.
Slicer Architectures for Analog-to-Information Conversion in Channel Equalizers (2016)

The scaling of analog-to-digital converter (ADC) power consumption with communication bandwidth imposes severe limits on its precision, which significantly impacts receiver performance. In this paper, we consider a “space-time” generalization of the flash architecture by allowing a fixed number of slicers to be dispersed in time (i.e., sampling offset) as well as space (i.e., amplitude), with the goal of investigating its capabilities for analog-to-information conversion (i.e., enabling reliable recovery of digital information, rather than faithful reproduction of the input signal) in the context of channel equalization for binary signaling over a dispersive channel. We first study standard symbol-spaced ADC with severe quantization constraints, estimating the minimum number of slicers needed to avoid error floors. We observe that the performance is sensitive to channel realization and sampling phase, which motivates a more flexible space-time architecture. Using ideas similar to those underlying compressive sensing, we prove that such architectures have no fundamental limitations in theory: randomly dispersing enough one-bit slicers over space and time does provide information sufficient for reliable equalization. We then focus on practical designs for symbol-spaced and fractionally-spaced sampling subject to a constraint on the number of slicers, and propose an algorithm for optimizing slicer thresholds, which significantly improves performance over a standard design.
Zero-field level crossing and optical radio-frequency double resonance studies of the A 2Σ+ states of OH and OD (1973)

We have performed Hanle effect and double resonance measurements on the ν′= 0, N′= 2, J′= 3/2 level of the OH A 2Σ+ state and on the ν′= 0, N′= 1, J′= 3/2 level of the OD A 2Σ+ state using atomic line excitation. The double resonance signal is followed as a function of static magnetic field. For OH the Zeeman splitting is found to be linear up to the highest fields investigated whereas in OD the deviations from linearity yield a value for the combination of hyperfine constants b+c/5= 121± 14 MHz. In the case of OH, both the F′ = 1 and F′ = 2 hyperfine components contribute to the Hanle signal; in the case of OD, the Hanle signal arises almost entirely from the F′ = 5/2 component. In the former case, measurement of the relative intensities of the F′ = 1 and F′ = 2 double resonance signals gives the relative populations of these components. From the linewidths of the zero-field level crossings, along with the analysis of the optical double resonance data, the radiative lifetimes for the above (ν′,N′,J′) levels of the A 2Σ+ states of OH and OD are determined to be 0.58±0.05 and 0.65±0.05 μsec, respectively.
Intracranial aneurysms and vascular malformations: comparison of time-of-flight and phase-contrast MR angiography. (1991)

Twenty-seven patients with 14 aneurysms and 17 vascular malformations were each examined with both time-of-flight (TF) and phase-contrast (PC) magnetic resonance angiography of the head. Three-dimensional (3D) PC imaging depicted the patent lumen of the aneurysms, while 3D TF imaging depicted the patent lumen and a subacute thrombus if present. The 3D PC techniques were superior to 3D TF methods in depicting aneurysms larger than 15 mm. PC angiography allowed velocity resolution of vascular lesions and yielded functional flow information by directly depicting collateral flow to vascular lesions. Artifacts present on TF images were due to substances with short T1, hemosiderin, and surgical clips. Artifacts present on PC images were due to flow-related aliasing. The results showed that PC techniques have specific advantages over TF techniques, including identification of large aneurysms, velocity resolution of vascular lesions, depiction of flow direction about the circle of Willis, and less degradation by artifacts.
SARS-CoV-2 infection of airway organoids reveals conserved use of Tetraspanin-8 by Ancestral, Delta, and Omicron variants (2023)

Ancestral SARS coronavirus-2 (SARS-CoV-2) and variants of concern (VOC) caused a global pandemic with a spectrum of disease severity. The mechanistic explaining variations related to airway epithelium are relatively understudied. Here, we biobanked airway organoids (AO) by preserving stem cell function. We optimized viral infection with H1N1/PR8 and comprehensively characterized epithelial responses to SARS-CoV-2 infection in phenotypically stable AO from 20 different subjects. We discovered Tetraspanin-8 (TSPAN8) as a facilitator of SARS-CoV-2 infection. TSPAN8 facilitates SARS-CoV-2 infection rates independently of ACE2-Spike interaction. In head-to-head comparisons with Ancestral SARS-CoV-2, Delta and Omicron VOC displayed lower overall infection rates of AO but triggered changes in epithelial response. All variants shared highest tropism for ciliated and goblet cells. TSPAN8-blocking antibodies diminish SARS-CoV-2 infection and may spur novel avenues for COVID-19 therapy.
An Efficient Second-Generation Manufacturing Process for the pan-RAF Inhibitor Belvarafenib (2021)

Herein, the development of a streamlined manufacturing process for the pan-RAF inhibitor belvarafenib (GDC-5573) is reported. The process to belvarafenib features a number of efficient key reactions, including a robust and scalable Pd-catalyzed carbonylation reaction to generate thienopyrimidine 2 and a highly chemoselective Pt/V/C-catalyzed nitro group reduction to access the penultimate intermediate 3. The final amide coupling was accomplished by a mild and safe protocol employing N,N,N′,N′-tetramethylchloroformamidinium hexafluorophosphate as the coupling reagent, which afforded belvarafenib on a multikilogram production scale after recrystallization.