gebhart/patrepeval huggingface dataset:
Stepwise bond dissociation energies for the removal of fluorine from thionyl fluoride and sulphuryl fluoride (1980)

Detailed energy balance studies of the single-collision chemiluminescent reactions of metastable strontium atoms with thionyl fluoride and sulphuryl fluoride yield the bond dissociation energies: D0⊖(FSO–F) 362 ± 19, D0⊖(SO–F) 337 ± 106, D0⊖(FSO2–F) 379 ± 18, and D0⊖(SO2–F) 229 ± 20 kJ mol–1.
Minimizing Sparse High-Order Energies by Submodular Vertex-Cover (2012)

Inference in high-order graphical models has become important in recent years. Several approaches are based, for example, on generalized message-passing, or on transformation to a pairwise model with extra ‘auxiliary ’ variables. We focus on a special case where a much more efficient transformation is possible. Instead of adding variables, we transform the original problem into a comparatively small instance of submodular vertex-cover. These vertex-cover instances can then be attacked by existing algorithms (e.g. belief propagation, QPBO), where they often run 4–15 times faster and find better solutions than when applied to the original problem. We evaluate our approach on synthetic data, then we show applications within a fast hierarchical clustering and model-fitting framework.
Supplementary Fig. S1 from Pharmacokinetic-pharmacodynamic correlation from mouse to human with pazopanib, a multikinase angiogenesis inhibitor with potent antitumor and antiangiogenic activity (2023)

Supplementary Fig. S1 from Pharmacokinetic-pharmacodynamic correlation from mouse to human with pazopanib, a multikinase angiogenesis inhibitor with potent antitumor and antiangiogenic activity
CCR5 receptor antagonists in preclinical to phase II clinical development for treatment of HIV (2016)

The chemokine receptor CCR5 has garnered significant attention in recent years as a target to treat HIV infection largely due to the approval and success of the drug Maraviroc. The side effects and inefficiencies with other first generation agents led to failed clinical trials, prompting the development of newer CCR5 antagonists. Areas covered: This review aims to survey the current status of 'next generation' CCR5 antagonists in the preclinical pipeline with an emphasis on emerging agents for the treatment of HIV infection. These efforts have culminated in the identification of advanced second-generation agents to reach the clinic and the dual CCR5/CCR2 antagonist Cenicriviroc as the most advanced currently in phase II clinical studies. Expert opinion: The clinical success of CCR5 inhibitors for treatment of HIV infection has rested largely on studies of Maraviroc and a second-generation dual CCR5/CCR2 antagonist Cenicriviroc. Although research efforts identified several promising preclinical candidates, these were dropped during early clinical studies. Despite patient access to Maraviroc, there is insufficient enthusiasm surrounding its use as front-line therapy for treatment of HIV. The non-HIV infection related development activities for Maraviroc and Cenicriviroc may help drive future interests.
Electrochemical sample pretreatment coupled on-line with electrospray mass spectrometry for enhanced elemental analysis (1998)

The successful coupling of a thin-layer, flow-by electrochemical cell on-line with electrospray mass spectrometry (ES-MS) for electrochemically modulated sample preconcentration and clean up, using copper(II) as the targeted analyte, is demonstrated. Particular requirements for the interfacing of this electrochemical system with ES-MS, the choice of cell and electrode materials, and the solvent and electrolyte requirements are addressed. The transfer of Cu2+ at low μg/L levels from matrices that cannot be analyzed directly by ES-MS, including 100% aqueous solutions containing up to 1% (v/v) HNO3 and 1% (w/w) NaCl, to a more suitable medium (i.e. CH3OH/H2O (95/5 v/v) with 5.0 mM ammonium acetate and 0.75% (v/v) acetic acid) via electrochemically controlled reduction (deposition) and oxidation (stripping) of the Cu2+ is demonstrated. Acidic samples and samples containing significant levels of dissolved solids required cell washout times of up to 4.0 min following electrochemical extraction. Nonetheless, analysis time was still less than 8 min per sample. Quantification of 20–50 μg/L Cu2+ in various matrices using standard additions with this electrochemical/ES-MS combination is evaluated. The limitations of this combination in its present state of development and possible future directions are summarized. © 1998 John Wiley & Sons, Ltd.
Improved thermodynamic analysis of gas reactions for compound semiconductor growth by vapor-phase epitaxy (2017)

An improved thermodynamic analysis method for vapor-phase epitaxy is proposed. In the conventional method, the mass-balance constraint equations are expressed in terms of variations in partial pressure. Although the conventional method is appropriate for gas–solid reactions occurring near the growth surface, it is not suitable for gas reactions that involve changes in the number of gas molecules. We reconsider the constraint equations in order to predict the effect of gas reactions on semiconductor growth processes. To demonstrate the feasibility of the improved method, the growth process of group-III nitrides by metalorganic vapor-phase epitaxy has been investigated.
ChemInform Abstract: A Selective and General Access to Trisubstituted Oxetanes. (1996)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Azimines revisited: the structure of a magenta dye (1991)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTAzimines revisited: the structure of a magenta dyeA. J. Boulton, Neil Henderson, Anne K. Powell, Ben R. F. Bracke, Albert T. H. Lenstra, and Luc J. VanmaeleCite this: J. Org. Chem. 1991, 56, 18, 5278–5281Publication Date (Print):August 1, 1991Publication History Published online1 May 2002Published inissue 1 August 1991https://pubs.acs.org/doi/10.1021/jo00018a013https://doi.org/10.1021/jo00018a013research-articleACS PublicationsRequest reuse permissionsArticle Views165Altmetric-Citations7LEARN 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-AlertscloseSupporting Info (1)»Supporting Information Supporting Information Get e-Alerts
Absorption, Distribution, Metabolism, and Excretion of 14C-MMB4 DMS Administered Intramuscularly to Sprague-Dawley Rats and New Zealand White Rabbits (2013)

1,1'-Methylenebis[4-[(hydroxyimino)methyl]-pyridinium] dimethanesulfonate (MMB4 DMS) is currently under development for the treatment of chemical warfare organophosphorus nerve agent poisoning. The present study evaluates the absorption, distribution, metabolism, and excretion of (14)C-MMB4 DMS administered intramuscularly to rats and rabbits. The formulated mixture of radiolabeled and nonradiolabeled MMB4 DMS was administered as a single or 7-day repeated dose. Rat doses were 55 or 220 mg/kg (100 µCi/kg), and rabbit doses were 25 or 100 mg/kg (31.25 and 62.5 µCi/kg, respectively). Urine, bile (rats only), feces, blood, and tissues were collected for up to 72 hours. Metabolic profiling using high-performance liquid chromatography with radiodetection was performed on selected urine samples. For both animal species, the majority of the total radioactivity was excreted in the urine (74%-94%) by 72 hours after dosing with greater than 90% of the radioactivity measured in the urine within 8 to 12 hours after dosing. There were no apparent species or dose differences in the urine excretion pattern. The distribution of (14)C-MMB4 DMS-derived radioactivity was rapid and generally reached the highest concentration by the first collection time point (0.25 hours). The tissue-blood concentration ratios were highest at the injection sites and in the kidneys and gastrointestinal tract contents for both the species. Two metabolites of MMB4 DMS were detected in rat and rabbit urine; their structure was confirmed by liquid chromatography with tandem mass spectrometry as 4-pyridine aldoxime and isonicotinic acid (pyridine-4-carboxylic acid).
5G evolution: 3GPP Releases 16 & 17 Overview (2020)

According to the latest Ericsson Mobility Report, global traffic levels hit 38 exabytes per month at the end of 2019, with a projected fourfold increase to 160 exabytes per month expected by 2025 [1]. Fortunately, the 5G system is designed to handle this massive increase in data traffic in a way that ensures superior performance with minimal impact on the net costs for consumers.
Chemical and Microstructural Characterization of 20‐Month‐Old Alkali‐Activated Slag Cements (2010)

Chemical and microstructural characterization of environmentally friendly alkali‐activated slag cement pastes and fine‐limestone aggregate concretes have been carried out after aging for 20 months and compared with 55‐day‐old cement pastes. Although the production of crystalline phases slowed, the cement paste continues to react. Si moves to more ordered positions, and formulae activated by Na 2 CO 3 undergo recarbonation, producing both calcite and aragonite, of which the latter occurs mainly in the recarbonation of Ca‐rich building materials known to have high durability. The reaction continues little in samples activated by NaOH/waterglass after 55 days. Elemental analysis shows the Ca/Si ratio decreasing from the center of unreacted slag grains to the outer product (Op). Elemental analyses of the cementing phase in the cement paste as well as the cementing phase in concrete specimens were quite similar. Peak shifts observed in Fourier transform infrared spectroscopy imply greater durability due to increased polymerization of Si in C–S–H, which may contain Na. Over time, more Ca dissolves from the slag and enters the Op, which was observed to be homogeneous.
Screening and eradication of Helicobacter pylori for gastric cancer prevention: the Taipei global consensus (2020)

Evidence supports the proposal that eradication therapy should be offered to all individuals infected with <i>H. pylori</i>. Vulnerable subjects should be tested, and treated if the test is positive. Mass screening and eradication of <i>H. pylori</i> should be considered in populations at higher risk of GC.
Evolutionary Design of Pulse-Shaping FIR Filter to Mitigate Fiber Nonlinearity (2018)

We use evolutionary strategy to design an irregular pulse-shaping filter to mitigate nonlinear distortion in fiber-optic transmission. Our optimized filter achieves greater than 0.2 dB gain over RRC Nyquist shaping with zero additional cost in computational complexity.
Antibody responses to hepatitis C envelope proteins in patients with acute or chronic hepatitis C (1996)

Antibody responses to the hepatitis C virus (HCV) envelope proteins E1 and E2 were analyzed using two original assays in sera from 86 patients in different stages of disease. A Western blot assay and an immunofluorescence assay (IFA) were developed using envelope proteins produced, respectively, in Escherichia coli and in CV1 cells infected with a recombinant SV40. As a third method, the INNO-LIA HCV Ab III assay including E2 synthetic peptides was used. Of 38 chronically infected patients positive for anti-E2 antibodies by IFA, 26 were positive in the Western blot assay (68%) and 25 in the INNO-LIA test (66%). Thus, the detection of anti-envelope antibodies is highly dependent on the antigen formulation, and a native glycosylated form of the proteins is probably needed for their efficient detection. This study shows that the antibody response to HCV envelope proteins depends on the phase of infection. A few acutely infected patients displayed a response to E1 or E2 (36% by Western blot, 7% by IFA), and these antibodies seem to develop in patients evolving toward chronicity. The high prevalence in chronically infected subjects (62% to E2 by Western blot, 90% by IFA), particularly in subjects with essential mixed cryoglobulinemia (68% and 100%), confirms that the resolution of infection involves more than these antibodies. The antienvelope response in patients treated with interferon was investigated, but no significant relationship was found between antibody level prior to treatment and the evolution of hepatitis. The detection of anti-envelope antibodies, therefore, is not predictive of the response to antiviral therapy.
DIE BEDEUTUNG DES UEBERDECKUNGSGRADES FUER DIE REALITAETSNAEHE FRONTALER OFFSET-CRASHS (1993)

Mercedes-Benz untersucht seit 1969 schwere Verkehrsunfaelle mit verletzten Pkw-Insassen. Die Analysen von Frontalkollisionen zeigen, dass haeufig nur ein Teil der Fahrzeugfront vom Stoss betroffen ist und dementsprechend die Struktur extrem beansprucht wird. Die Folge sind hohe Intrusionen in die Fahrgastzelle, verbunden mit einem hohen Verletzungsrisiko der Insassen. Aus diesem Grund fuehrte Mercedes-Benz den Offset-Test gegen eine starreBarriere als internen Standardtest ein, wobei eine Frontueberdeckung von 40 bis 60 Prozent gewaehlt wurde, die in guter Annaeherung auch Fahrzeug-Fahrzeug-Tests von 40 bis 60 Prozent Ueberdeckung simuliert. In Kombinationmit den gesetzlich vorgeschriebenen Haltesystemtests stellt der Offset-Test eine fuer den Realunfall sinnvolle Ergaenzung bei der Automobilauslegung dar. Weitere Verbesserungen koennen mit einer deformierbaren Barriere erreicht werden. Hierzu werden in dem Beitrag erste Ergebnisse vorgestellt. Titel in Englisch: The importance of the overlap degree in realistic frontal offset crashs.
AGEMAP: A Gene Expression Database for Aging in Mice (2007)

We present the AGEMAP (Atlas of Gene Expression in Mouse Aging Project) gene expression database, which is a resource that catalogs changes in gene expression as a function of age in mice. The AGEMAP database includes expression changes for 8,932 genes in 16 tissues as a function of age. We found great heterogeneity in the amount of transcriptional changes with age in different tissues. Some tissues displayed large transcriptional differences in old mice, suggesting that these tissues may contribute strongly to organismal decline. Other tissues showed few or no changes in expression with age, indicating strong levels of homeostasis throughout life. Based on the pattern of age-related transcriptional changes, we found that tissues could be classified into one of three aging processes: (1) a pattern common to neural tissues, (2) a pattern for vascular tissues, and (3) a pattern for steroid-responsive tissues. We observed that different tissues age in a coordinated fashion in individual mice, such that certain mice exhibit rapid aging, whereas others exhibit slow aging for multiple tissues. Finally, we compared the transcriptional profiles for aging in mice to those from humans, flies, and worms. We found that genes involved in the electron transport chain show common age regulation in all four species, indicating that these genes may be exceptionally good markers of aging. However, we saw no overall correlation of age regulation between mice and humans, suggesting that aging processes in mice and humans may be fundamentally different.
Review of Vacuum Thermal Evaporation for Future AMOLED (2018)

A point source and a linear source have been developed for organic evaporation, and the linear source evaporator is currently used for manufacturing active-matrix organic lightemitting diode (AMOLED) devices. However, a new source technology that exhibits high material utilization and is shadow-free is required because of the low material utilization ( 20%) and the limited shadow distance ( 3 mm) of the point-and the linear-type evaporation sources. In this report, the evaporator technology is reviewed, and a future type of plane-source evaporator with high material utilization (60%) and sub-micron (0.37 mm) shadow distance for the purpose of manufacturing high-ppi (pixel per inch) AMOLEDs will be introduced.
Cytopathogenesis of Vesicular Stomatitis Virus Is Regulated by the PSAP Motif of M Protein in a Species-Dependent Manner (2012)

Vesicular stomatitis virus (VSV) is an important vector-borne pathogen of bovine and equine species, causing a reportable vesicular disease. The matrix (M) protein of VSV is multifunctional and plays a key role in cytopathogenesis, apoptosis, host protein shut-off, and virion assembly/budding. Our previous findings indicated that mutations of residues flanking the (37)PSAP(40) motif within the M protein resulted in VSV recombinants having attenuated phenotypes in mice. In this report, we characterize the phenotype of VSV recombinant PS > A4 (which harbors four alanines (AAAA) in place of the PSAP motif without disruption of flanking residues) in both mice, and in Aedes albopictus C6/36 mosquito and Culicoides sonorensis KC cell lines. The PS > A4 recombinant displayed an attenuated phenotype in infected mice as judged by weight loss, mortality, and viral titers measured from lung and brain samples of infected animals. However, unexpectedly, the PS > A4 recombinant displayed a robust cytopathic phenotype in insect C6/36 cells compared to that observed with control viruses. Notably, titers of recombinant PS > A4 were approximately 10-fold greater than those of control viruses in infected C6/36 cells and in KC cells from Culicoides sonorensis, a known VSV vector species. In addition, recombinant PS > A4 induced a 25-fold increase in the level of C3 caspase activity in infected C6/36 cells. These findings indicate that the PSAP motif plays a direct role in regulating cytopathogenicity in a species-dependent manner, and suggest that the intact PSAP motif may be important for maintaining persistence of VSV in an insect host.
Antibody induced CD4 down-modulation of T cells is site-specifically mediated by CD64+ cells (2015)

Treatment of PBMC with the CD4-specific mAb BT-061 induces CD4 down-modulation of T cells. Here we report that addition of BT-061 to purified T cells did not confer this effect, whereas incubation of T cells in BT-061 coated wells restored CD4 down-modulation. These results implied that Fcγ receptor mediated cell-cell interactions played a role. In consistence with this hypothesis PBMC depleted of CD64(+) monocytes did not confer CD4 down-modulation of BT-061 decorated T cells. Strikingly, CD4 down-modulation was observed in BT-061 treated synovial fluid punctuated from patients' inflamed joints that comprised enhanced numbers of CD64(+) cells. In contrast, in a circulating whole blood system injection of BT-061 did not induce CD4 down-modulation, due to CD64 saturation by serum IgG. Similarly, tonsil derived mononuclear cells devoid of CD64(+) cells did not show CD4 down-modulation, whereas addition of blood derived monocytes restored the effect. Thus, the interaction of BT-061 decorated T cells with CD64(+) cells is needed for CD4 down-modulation, implying that in patients BT-061 would primarily induce CD4 down-modulation at inflammatory sites. These results highlight the need not only to examine the interaction of a given mAb with single FcγR, but also the immunological environment that is appropriate to support such interactions.
G-Protein–Coupled Receptor Mas Is a Physiological Antagonist of the Angiotensin II Type 1 Receptor (2005)

These results demonstrate that Mas can hetero-oligomerize with the AT1 receptor and by so doing inhibit the actions of angiotensin II. This is a novel demonstration that a G-protein-coupled receptor acts as a physiological antagonist of a previously characterized receptor. Consequently, the AT1-Mas complex could be of great importance as a target for pharmacological intervention in cardiovascular diseases.
Functional Analysis of NopM, a Novel E3 Ubiquitin Ligase (NEL) Domain Effector of Rhizobium sp. Strain NGR234 (2012)

Type 3 effector proteins secreted via the bacterial type 3 secretion system (T3SS) are not only virulence factors of pathogenic bacteria, but also influence symbiotic interactions between nitrogen-fixing nodule bacteria (rhizobia) and leguminous host plants. In this study, we characterized NopM (nodulation outer protein M) of Rhizobium sp. strain NGR234, which shows sequence similarities with novel E3 ubiquitin ligase (NEL) domain effectors from the human pathogens Shigella flexneri and Salomonella enterica. NopM expressed in Escherichia coli, but not the non-functional mutant protein NopM-C338A, showed E3 ubiquitin ligase activity in vitro. In vivo, NopM, but not inactive NopM-C338A, promoted nodulation of the host plant Lablab purpureus by NGR234. When NopM was expressed in yeast, it inhibited mating pheromone signaling, a mitogen-activated protein (MAP) kinase pathway. When expressed in the plant Nicotiana benthamiana, NopM inhibited one part of the plant's defense response, as shown by a reduced production of reactive oxygen species (ROS) in response to the flagellin peptide flg22, whereas it stimulated another part, namely the induction of defense genes. In summary, our data indicate the potential for NopM as a functional NEL domain E3 ubiquitin ligase. Our findings that NopM dampened the flg22-induced ROS burst in N. benthamiana but promoted defense gene induction are consistent with the concept that pattern-triggered immunity is split in two separate signaling branches, one leading to ROS production and the other to defense gene induction.
Characterization of COK-5, Member of a New Family of Zeolite Material with Multiple Channel Systems (2005)

In this paper we propose a structure for the novel zeolite material COK-5. COK-5 has a distinct X-ray diffraction pattern, showing unique peaks and broad features. This suggests a layered structure with stacking disorder, consistent with SEM and TEM observations. The proposed structure builds on modified structure elements of MFS type zeolite. The building layers can be stacked in various ways, leading to three new structures, termed Mirror, Glide, and Centre. We propose COK-5 is an intergrowth of these new structures and MFS. The COK-5 channel system comprises four types of pores with windows circumscribed with 10- or 12-rings of oxygen atoms. The refined constraint index of 2.7 situates COK-5 at the transition between 10-ring and 12-ring zeolites. The presence of four pore systems in the same material is unusual and promises high catalytic potential of COK-5.