gebhart/patrepeval huggingface dataset:
A Molecular Orbital Theory for Square Planar Metal Complexes (1963)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTA Molecular Orbital Theory for Square Planar Metal ComplexesHarry B. Gray and C. J. BallhausenCite this: J. Am. Chem. Soc. 1963, 85, 3, 260–265Publication Date (Print):February 1, 1963Publication History Published online1 May 2002Published inissue 1 February 1963https://pubs.acs.org/doi/10.1021/ja00886a002https://doi.org/10.1021/ja00886a002research-articleACS PublicationsRequest reuse permissionsArticle Views4491Altmetric-Citations385LEARN 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
Total Synthesis of Abyssomicin C and atrop‐Abyssomicin C (2006)

Kleine Ursache, große Wirkung: Eine Metathesestrategie zur Totalsynthese von Abyssomicin C (1) öffnet einen hoch konvergenten Einstieg in den Aufbau von Analoga wie dem neuartigen und wirksamen Atrop-Abyssomicin C (2). Dessen Struktur weicht nur wenig von derjenigen des Naturstoffs 1 ab (O rot, C grau, H weiß), doch dies hat entscheidende Konsequenzen.
Factors Influencing Knee Restraint (1979)

&lt;div class="htmlview paragraph"&gt;A planar mathematical model was developed to provide means of studying factors which can influence the function of lower torso restraint via a padded lower instrument panel or knee bolster. The following factors were judged to play the most significant role:&lt;/div&gt; &lt;div class="htmlview paragraph"&gt; &lt;ol class="list nostyle"&gt; &lt;li class="list-item"&gt; &lt;span class="li-label"&gt;1)&lt;/span&gt; &lt;div class="htmlview paragraph"&gt;initial fore-and-aft position of the seated occupant relative to the knee restraint;&lt;/div&gt; &lt;/li&gt; &lt;li class="list-item"&gt; &lt;span class="li-label"&gt;2)&lt;/span&gt; &lt;div class="htmlview paragraph"&gt;location of the knee-to-bolster contact;&lt;/div&gt; &lt;/li&gt; &lt;li class="list-item"&gt; &lt;span class="li-label"&gt;3)&lt;/span&gt; &lt;div class="htmlview paragraph"&gt;angular orientation of the bolster face;&lt;/div&gt; &lt;/li&gt; &lt;li class="list-item"&gt; &lt;span class="li-label"&gt;4)&lt;/span&gt; &lt;div class="htmlview paragraph"&gt;primary axis of the bolster resisting force, 5) variations in vehicle crash parameters (e.g., toepan rotation and displacement and seat deflection); and 6) deformation characteristics of the bolster. The model of a seated occupant included radiographic and empirical data on the anatomy of the links and joints in the lower extremity. Emphasis was also placed on determining a range of reference location, orientation and primary axis of resistance of the knee bolster so that an effective restraint may be provided for the 5th percentile female, 50th percentile male, and 95th percentile male occupant.&lt;/div&gt; &lt;/li&gt; &lt;/ol&gt; &lt;/div&gt;
Conformation-directing effects of a single intramolecular amide-amide hydrogen bond: variable-temperature NMR and IR studies on a homologous diamide series (1991)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTConformation-directing effects of a single intramolecular amide-amide hydrogen bond: variable-temperature NMR and IR studies on a homologous diamide seriesSamuel H. Gellman, Gregory P. Dado, Gui Bai Liang, and Bruce R. AdamsCite this: J. Am. Chem. Soc. 1991, 113, 4, 1164–1173Publication Date (Print):February 1, 1991Publication History Published online1 May 2002Published inissue 1 February 1991https://pubs.acs.org/doi/10.1021/ja00004a016https://doi.org/10.1021/ja00004a016research-articleACS PublicationsRequest reuse permissionsArticle Views4446Altmetric-Citations383LEARN 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
The Simons Observatory: science goals and forecasts (2019)

The Simons Observatory (SO) is a new cosmic microwave background experiment being built on Cerro Toco in Chile, due to begin observations in the early 2020s. We describe the scientific goals of the experiment, motivate the design, and forecast its performance. SO will measure the temperature and polarization anisotropy of the cosmic microwave background in six frequency bands centered at: 27, 39, 93, 145, 225 and 280 GHz. The initial configuration of SO will have three small-aperture 0.5-m telescopes and one large-aperture 6-m telescope, with a total of 60,000 cryogenic bolometers. Our key science goals are to characterize the primordial perturbations, measure the number of relativistic species and the mass of neutrinos, test for deviations from a cosmological constant, improve our understanding of galaxy evolution, and constrain the duration of reionization. The small aperture telescopes will target the largest angular scales observable from Chile, mapping ≈ 10% of the sky to a white noise level of 2 μK-arcmin in combined 93 and 145 GHz bands, to measure the primordial tensor-to-scalar ratio, r , at a target level of σ( r )=0.003. The large aperture telescope will map ≈ 40% of the sky at arcminute angular resolution to an expected white noise level of 6 μK-arcmin in combined 93 and 145 GHz bands, overlapping with the majority of the Large Synoptic Survey Telescope sky region and partially with the Dark Energy Spectroscopic Instrument. With up to an order of magnitude lower polarization noise than maps from the Planck satellite, the high-resolution sky maps will constrain cosmological parameters derived from the damping tail, gravitational lensing of the microwave background, the primordial bispectrum, and the thermal and kinematic Sunyaev-Zel'dovich effects, and will aid in delensing the large-angle polarization signal to measure the tensor-to-scalar ratio. The survey will also provide a legacy catalog of 16,000 galaxy clusters and more than 20,000 extragalactic sources.
Relationship between thermal stability, degradation rate and expression yield of barnase variants in the periplasm of Escherichia coli (1996)

An advantage of exporting a recombinant protein to the periplasm of Escherichia coli is decreased proteolysis in the periplasm compared with that in the cytoplasm. However, protein degradation in the periplasm also occurs. It has been widely accepted that the thermodynamic stability of a protein is an important factor for protein degradation in the cytoplasm of E.coli. To investigate the effect of the thermodynamic stability of an exported protein on the extent of proteolysis in the periplasm, barnase (an extracellular ribonuclease from Bacillus amyloliquefaciens) fused to alkaline phosphatase leader peptide was used as a model protein. A set of singly or doubly mutated barnase variants were constructed for export to the E.coli periplasm. It was found that the half-life of the barnase variants in vivo increased with their thermodynamic stability in vitro. A dominant factor for the final yield of exported barnase was not exportability but the turnover rate of the barnase variant. The yield of a stabilized mutant was up to 50% higher than that of the wild type. This suggests that exporting a protein to the periplasm and using protein engineering to enhance the stability can be combined as a strategy to optimize the production of recombinant proteins.
A Mixed Formulation of Lactic Acid Bacteria Inhibits Trinitrobenzene-Sulfonic-Acid-Induced Inflammatory Changes of the Colon Tissue in Mice (2014)

Lactic acid bacteria (LAB) are probiotics that provide numerous beneficial effects on the host body, especially on the intestine. Combining several strains of LAB, we prepared a formulation containing four different LAB and studied its anti-inflammatory activity both in vitro and in vivo. The formulation significantly reduced NO production from RAW 264.7 cells treated with bacterial lipopolysaccharide, indicating that the formulation might include antiinflammatory activity. The formulation also suppressed inflammatory change induced by trinitrobenzene sulfonic acid (TNBS) in mice, where oral or rectal administration of the formulation protected the colon tissue from the damage by TNBS. Expressions of the IL-6 and FasL genes appeared to be down-regulated by the formulation in TNBS-treated colon tissues, suggesting that the suppression of those genes may be involved in the anti-inflammatory activity of the formulation.
Blood-based reverse transcriptase polymerase chain reaction assays for prostatic specific antigen: Long term follow-up confirms the potential utility of this assay in identifying patients more likely to have biochemical recurrence (rising PSA) following radical prostatectomy (1999)

Reverse transcriptase polymerase chain reaction (RT-PCR) assay is a sensitive technique to detect circulating cells expressing prostate-specific antigen (PSA) in blood or bone marrow from patients with prostate cancer. When applied to prostate cancer patients at our institution, this technique identifies those patients with a greater likelihood of extra-prostatic disease. We evaluated RT-PCR PSA as a predictor of PSA recurrence and compared it with pre-operative (serum PSA, digital rectal examination, Gleason score on biopsy) and post-operative parameters (pathological findings). Three hundred nineteen men scheduled for radical prostatectomy had an enhanced RT-PCR PSA assay before surgery. The enhanced RT-PCR PSA protocol has been previously described. PSA recurrence was defined as any serum PSA value above 0.2 microgram/l. Forty-six patients had PSA recurrence. The mean follow-up was 25.4 months. Recurrence free survival was 53% for patients with positive RT-PCR PSA vs. 84% if RT-PCR PSA was negative. By using multivariate analyses, RT-PCR PSA status was not an independent predictor of PSA recurrence compared to pathological stage pT3, Gleason score on prostate specimen and serum PSA. If only pre-operative parameters were studied, serum PSA and RT-PCR PSA status were 2 independent pre-operative predictors of PSA recurrence compared with Gleason score on biopsy and digital rectal examination. Int. J. Cancer (Pred. Oncol.) 84:360-364, 1999.
Divergent C–H Functionalizations Directed by Sulfonamide Pharmacophores: Late-Stage Diversification as a Tool for Drug Discovery (2011)

Modern drug discovery is contingent on identifying lead compounds and rapidly synthesizing analogues. The use of a common pharmacophore to direct multiple and divergent C-H functionalizations of lead compounds is a particularly attractive approach. Herein, we demonstrate the viability of late-stage diversification through the divergent C-H functionalization of sulfonamides, an important class of pharmacophores found in nearly 200 drugs currently on the market, including the non-steroidal anti-inflammatory blockbuster drug celecoxib. We developed a set of six categorically different sulfonamide C-H functionalization reactions (olefination, arylation, alkylation, halogenation, carboxylation, and carbonylation), each representing a distinct handle for further diversification to reach a large number of analogues. We then performed late-stage, site-selective diversification of a sulfonamide drug candidate containing multiple potentially reactive C-H bonds to synthesize directly novel celecoxib analogues as potential cyclooxygenase-II (COX-2)-specific inhibitors. Together with other recently developed practical directing groups, such as CONHOMe and CONHC(6)F(5), sulfonamide directing groups demonstrate that the auxiliary approach established in asymmetric catalysis can be equally effective in developing broadly useful C-H activation reactions.
Characterization of Surface Markers of Continuously Growing Murine Resident Macrophages (1988)

Conditions have been described which allow an in vitro indefinite multiplication of differentiated murine macrophages (Lombard et al: Biol Cell 53, 219, 1985). R. and MAY-1 cell lines, which were obtained, respectively, from mouse (Balb/c) spleen and resident peritoneal macrophages, have been further characterized. They present at their surface, besides the Mac-1 antigen and Fc-receptor, a mannose receptor which was characterized for its binding properties. This receptor is responsive for a specific phagocytosis of mannosylated particles, i.e., mannosylated latex beads or oil droplets containing mannosylated bovine serum albumin. Moreover, R and MAY-1 cells present an ectoenzyme profile (NAD+ glycohydrolase and nucleotide pyrophosphatase) similar to those of the corresponding resident macrophages.
Determination of the behaviour of self-sampled digital phase-locked loops (2010)

This paper deals with the stability of so-called “self-sampled” digital phase-locked-loops (PLLs). These systems are meant to be used as the nodes of autonomous clock distribution networks, where clock signals are locally generated in each node and each node is synchronized with its neighbours. Despite the absence of an absolute reference clock, it is possible to use the local irregular clock to trigger the operations of the digital loop filter. In this paper, we show that, in this mode of operation, PLLs can be modeled as autonomous piecewise-linear systems. We investigate what filter coefficients to choose in order to ensure stability and, hence synchronization. Two methods are explored, the first based on transient simulations, the second on linear matrix inequalities. It is shown that the second method yields much more conservative results than the first but that it cannot apply to all design options of self-sampled PLLs.
Effective reinforcements for thermoplastics based on carbon nanotubes of oil fly ash (2019)

Carbon nanotubes (CNTs) are widely investigated for preparing polymer nanocomposites, owing to their unique mechanical properties. However, dispersing CNTs uniformly in a polymer matrix and controlling their entanglement/agglomeration are still big technical challenges to be overcome. The costs of their raw materials and production are also still high. In this work, we propose the use of CNTs grown on oil fly ash to solve these issues. The CNTs of oil fly ash were evaluated as reinforcing materials for some common thermoplastics. High-density polyethylene (HDPE) was mainly reinforced with various weight fractions of CNTs. Xylene was used as a solvent to dissolve HDPE and to uniformly disperse the CNTs. Significantly enhanced mechanical properties of HDPE reinforced at a low weight fraction of these CNTs (1-2 wt.%), mainly the tensile strength, Young's modulus, stiffness, and hardness, were observed. The tensile strength and Young's modulus were enhanced by ~20 and 38%, respectively. Moreover, the nanoindentation results were found to be in support to these findings. Polycarbonate, polypropylene, and polystyrene were also preliminarily evaluated after reinforcement with 1 wt.% CNTs. The tensile strength and Young's Modulus were increased after reinforcement with CNTs. These results demonstrate that the CNTs of the solid waste, oil fly ash, might serve as an appropriate reinforcing material for different thermoplastics polymers.
Reusable Nanostencils for Creating Multiple Biofunctional Molecular Nanopatterns on Polymer Substrate (2012)

In this paper, we demonstrate a novel method for high throughput patterning of bioprobes with nanoscale features on biocompatible polymer substrate. Our technique, based on nanostencil lithography, employs high resolution and robust masks integrated with array of reservoirs. We show that the smallest pattern size can reach down to 100 nm. We also show that different types of biomolecules can be patterned on the same substrate simultaneously. Furthermore, the stencil can be reused multiple times to generate a series of identical patterns at low cost. Finally, we demonstrate that biomolecules can be covalently patterned on the surface while retaining their biofunctionalities. By offering the flexibility on the nanopattern design and enabling the reusability of the stencil, our approach significantly simplifies the bionanopatterning process and therefore could have profound implications in diverse biological and medical applications.
Optimization of the zinc oxide electron transport layer in P3HT:PC61BM based organic solar cells by annealing and yttrium doping (2015)

Yttrium-doped zinc oxide was utilized as an efficient electron-transport layer in P<sub>3</sub>HT:PC<sub>61</sub>BM based solar cells.
A robust ex vivo model for evaluation of induction of apoptosis by rhTRAIL in combination with proteasome inhibitor MG132 in human premalignant cervical explants (2008)

Development of medical therapies for high-grade cervical intraepithelial neoplasia (CIN II/III) is hampered by the lack of CIN II/III cell lines. Tumor necrosis factor-related apoptosis-inducing ligand (TRAIL) induces apoptosis upon binding to its receptors DR4 or DR5. Proteasome inhibition by MG132 sensitized cervical cancer cell lines to recombinant human (rh)TRAIL. In our study, we aimed to develop an ex vivo model for CIN II/III and to investigate the apoptosis-inducing effect of rhTRAIL and/or MG132 in cervical explants from CIN II/III patients. A short-term ex vivo culture system was optimized for cervical biopsies, in which explants from normal cervix and CIN II/III lesions were exposed to either rhTRAIL (1 microg/ml), MG132 (5 microM) or the combination and compared to untreated explants for apoptosis induction. Normal cervix (n = 90) and CIN II/III (n = 24) explants could be reproducibly put in culture and kept viable for up to 7 days using a transwell membrane system. CIN II/III explants (n = 5) were highly sensitive to rhTRAIL plus MG132 (mean % apoptosis: 91 +/- 5) compared to normal cervix (n = 10) treated with rhTRAIL plus MG132 (mean % apoptosis: 24 +/- 10, p < 0.0001), while monotherapy with either rhTRAIL, MG132 or medium resulted in a mean % apoptosis <10 in both CIN II/III and normal cervix. Our ex vivo model system allows preclinical evaluation of (topical) medical therapies for CIN II/III. A strong synergistic apoptosis-inducing effect of the combination of rhTRAIL and MG132, especially in CIN II/III lesions indicates that rhTRAIL combined with proteasome inhibitors deserves exploration as medical treatment for CIN II/III.
Resonant-cavity photodetectors: performance and functionality (1997)

In recent years photodetector structures have become more complex in response to more stringent performance demands such as higher bandwidth and lower noise. There are, however, fundamental performance limitations such as the responsivity/bandwidth tradeoff that have not been adequately addressed. At present, it appears that significance increases in performance will be the result of major technological breakthroughs rather than incremental improvements in conventional structures. Our productive approach is the implementation of resonant-cavity structures.
Deep-UV resists with improved delay capabilities (1992)

In this paper, we present our approaches to solve the delay problem, i.e., the formation of T- tops during the delay time between exposure and post-exposure bake. We investigated the distribution of the photoacid generator in the resist layer and the influence of basic contaminations in the formulation. T-topped patterns can be avoided by using appropriate developers. The incorporation of additives make the resist less sensitive to basic contaminations. Some formulations show no T-top formation under severe conditions for a considerable amount of time.
Potent cross-reactive neutralization of SARS coronavirus isolates by human monoclonal antibodies (2020)

The severe acute respiratory syndrome coronavirus (SARS-CoV) caused a worldwide epidemic in late 2002/early 2003 and a second outbreak in the winter of 2003/2004 by an independent animal-to-human transmission. The GD03 strain, which was isolated from an index patient of the second outbreak, was reported to resist neutralization by the human monoclonal antibodies (hmAbs) 80R and S3.1, which can potently neutralize isolates from the first outbreak. Here we report that two hmAbs, m396 and S230.15, potently neutralized GD03 and representative isolates from the first SARS outbreak (Urbani, Tor2) and from palm civets (SZ3, SZ16). These antibodies also protected mice challenged with the Urbani or recombinant viruses bearing the GD03 and SZ16 spike (S) glycoproteins. Both antibodies competed with the SARS-CoV receptor, ACE2, for binding to the receptor-binding domain (RBD), suggesting a mechanism of neutralization that involves interference with the SARS-CoV–ACE2 interaction. Two putative hot-spot residues in the RBD (Ile-489 and Tyr-491) were identified within the SARS-CoV spike that likely contribute to most of the m396-binding energy. Residues Ile-489 and Tyr-491 are highly conserved within the SARS-CoV spike, indicating a possible mechanism of the m396 cross-reactivity. Sequence analysis and mutagenesis data show that m396 might neutralize all zoonotic and epidemic SARS-CoV isolates with known sequences, except strains derived from bats. These antibodies exhibit cross-reactivity against isolates from the two SARS outbreaks and palm civets and could have potential applications for diagnosis, prophylaxis, and treatment of SARS-CoV infections.
Polymeric Nanoparticle PET/MR Imaging Allows Macrophage Detection in Atherosclerotic Plaques (2013)

Hybrid PET/MRI with a 13-nm DNP enables noninvasive assessment of inflammation in experimental atherosclerotic plaques and reports on therapeutic efficacy of anti-inflammatory therapy.