gebhart/patrepeval huggingface dataset:
Monocyclopentadienyl−Titanium Aryloxide Sulfide Complexes (1998)

In this report we extend titanium-sulfide chemistry, describing the syntheses, structures, and chemistry of monocyclopentadienyl-titanium aryloxide sulfide complexes. Reduction of Cp'Ti(OC(6)H(3)-2,6-i-Pr(2))Cl(2) (Cp' = Cp (1), Cp (3)) with n-BuLi affords the Ti(III) compounds [CpTi(OC(6)H(3)-2,6-i-Pr(2))(&mgr;-Cl)](2) (2) and [CpTi(OC(6)H(3)-2,6-i-Pr(2))(&mgr;-Cl)](2) (4). Compound 2 is oxidized by moisture, giving [CpTi(OC(6)H(3)-2,6-i-Pr(2))Cl](2)(&mgr;-O) (5). Oxidation of 4 by sulfur led to a mixture of uncharacterized products; however, reaction of 3 with 2 equiv of n-BuLi followed by subsequent addition of sulfur afforded a new diamagnetic species, CpTi(OC(6)H(3)-2,6-i-Pr(2))S(5) (6). Oxidation of 2 by S(8) yields [CpTi(OC(6)H(3)-2,6-i-Pr(2))](2)(&mgr;-S)(&mgr;-S(2)) (7). Reaction of the known sulfide-bridged dimer [CpTi(OC(6)H(3)-2,6-i-Pr(2))(&mgr;-S)](2) (8) with sulfur provides an alternative route to 7. The conversion of 7 to 8 is reversible as reaction of 7 with PPh(3) yields SPPh(3) and 8 quantitatively. Reaction of 1 with Li(2)S proceeds cleanly to give 8. Reduction of CpTi(OC(6)H(3)-2,6-i-Pr(2))(SPh)Cl (9) with n-BuLi affords the diamagnetic product [CpTi(OC(6)H(3)-2,6-i-Pr(2))(&mgr;-SPh)](2) (10), which reacts with phenylpyridine to generate the paramagnetic species CpTi(OC(6)H(3)-2,6-i-Pr(2))(SPh)(NC(5)H(4)Ph) (11). Attempts to isolate a monosulfide-bridged complex are described. Isolation of a monosulfide-bridged species, [CpTi(OC(6)H(3)-2,6-i-Pr(2))(2)](2)(&mgr;-S) (14), is achieved via reaction of [CpTi(OC(6)H(3)-2,6-i-Pr(2))(2)Cl (13) with Li(2)S. Structural data for 2, 4-7, 10, and 14 are reported. Comparisons are made with the related titanocene-sulfide systems, and the implications are considered.
Early Metastatic Progression of Bladder Carcinoma: Molecular Profile of Primary Tumor and Sentinel Lymph Node (2002)

In this study invasive bladder carcinoma involved monoclonal proliferations with a mainly homogenous biomarker profile. The first metastases in sentinel lymph nodes had a similar molecular profile but in half of the cases signs of clonal evolution appeared.
Influence of coronary architecture on the variability in myocardial infarction induced by coronary ligation in rats (2017)

It has been shown that the size of myocardial infarction in rats created by coronary ligation technique is not uniform, varying from 4% to 65%. We hypothesized that infarct size variability induced by coronary artery ligation might be caused by coronary artery branching pattern. Coronary artery angiography was performed in 50 normal Lewis rats and in chronic myocardial infarction models in which coronary artery was ligated immediately below the left atrial appendage or 2mm distal to the left atrial appendage (n = 25 for each), followed by histological analysis. Unlike the human, the rats had a single major septal artery arising from the proximal part of the left coronary artery (n = 30) or right coronary artery (n = 20). There were three branching patterns of left circumflex artery (LCX): 33 (66%) had LCX branching peripherally from a long left main coronary artery (LMCA), while the remainder 17 (34%) had the LCX branching from the proximal part of the septal artery or a short LMCA. The rats with distal coronary ligation presented myocardial infarction localized to an anterior territory irrespective of LCX branching pattern. In the rats with proximal coronary ligation, 64% (n = 16) had broad myocardial infarction involving the anterior and lateral territories, while the remainder (36%, n = 9) had myocardial infarction localized to an anterior territory with the intact LCX arising proximally from a short LMCA. The interventricular septum was spared from infarction in all rats because of its anatomical location. Infarct size variations were caused not only by ligation site but also by varying LCX branching patterns. There are potential risks to create different sizes of myocardial infarction, particularly when targeting a broad range of myocardial infarction. The territory of the septal artery always appears to be spared from myocardial infarction induced by the coronary ligation technique.
[Surveillance of hospital infections in Poland--current condition and prospects]. (2000)

This paper outlines the current achievements in the control of hospital acquired infections in modern countries as well as in Poland in recent years. Studies related to the incidence of hospital-acquired infections have been conduced in western Europe, Scandinavia, the United States, and many other countries around the world. Because of these already completed studies, we are able to develop epidemiologic analysis specifically centered upon the incidence and increased costs involved with hospital-acquired infections. In Poland this type of surveillance was unable to be attained until long after its institution. However, over the past few years, the Polish Society of Hospital-Acquired Infection, has worked to bring recognition of the seriousness of this problem to a representative group of Polish hospitals. One of the most important conclusions reached was lack of departmental control which, using standards previously agreed upon by modern countries, could provide the necessary surveillance over hospital-acquired infections. Currently, surveillance is carried out by treating physicians without the help of specially-trained infection control nurses, epidemiologists and medical microbiologists. The basic challenge for the Polish health service is that of the development and realization of a professional infection control team. This professional team would work develop guidelines for the protection of patients and hospital personnel from hospital-acquired infections.
Bit-interleaved coded modulation withiterative decoding using soft feedback (1998)

A new iterative decoding (ID) scheme is suggested for bit-interleaved coded modulation (BICM). The bit-metric generation at the demodulator is optimised with the soft-output feedback from the convolutional decoder. Computer simulation results indicate that BICM-ID, with a few iterations, significantly outperforms conventional trellis coded modulation and is therefore another promising technique to achieve large coding gain without bandwidth expansion.
Protection of Rabbits and Immunodeficient Mice against Lethal Poxvirus Infections by Human Monoclonal Antibodies (2012)

Smallpox (variola virus) is a bioweapon concern. Monkeypox is a growing zoonotic poxvirus threat. These problems have resulted in extensive efforts to develop potential therapeutics that can prevent or treat potentially lethal poxvirus infections in humans. Monoclonal antibodies (mAbs) against smallpox are a conservative approach to this problem, as the licensed human smallpox vaccine (vaccinia virus, VACV) primarily works on the basis of protective antibody responses against smallpox. Fully human mAbs (hmAbs) against vaccinia H3 (H3L) and B5 (B5R), targeting both the mature virion (MV) and extracellular enveloped virion (EV) forms, have been developed as potential therapeutics for use in humans. Post-exposure prophylaxis was assessed in both murine and rabbit animal models. Therapeutic efficacy of the mAbs was assessed in three good laboratory practices (GLP) studies examining severe combined immunodeficiency mice (SCID) given a lethal VACV infection. Pre-exposure combination hmAb therapy provided significantly better protection against disease and death than either single hmAb or vaccinia immune globulin (VIG). Post-exposure combination mAb therapy provided significant protection against disease and death, and appeared to fully cure the VACV infection in ≥50% of SCID mice. Therapeutic efficacy was then assessed in two rabbit studies examining post-exposure hmAb prophylaxis against rabbitpox (RPXV). In the first study, rabbits were infected with RPVX and then provided hmAbs at 48 hrs post-infection, or 1 hr and 72 hrs post-infection. Rabbits in both groups receiving hmAbs were 100% protected from death. In the second rabbitpox study, 100% of animal treated with combination hmAb therapy and 100% of animals treated with anti-B5 hmAb were protected. These findings suggest that combination hmAb treatment may be effective at controlling smallpox disease in immunocompetent or immunodeficient humans.
Altersentwicklung von Patienten mit Plattenepithelkarzinomen im Kopf- und Halsbereich in einem deutschen tertiären Referenzzentrum über einen Zeitraum von 15 Jahren (2021)

Einleitung Der Einfluss des demographischen Wandels auf das Alter bei Diagnosestellung von Patienten mit plattenepithelialen Kopf-Hals-Karzinomen (HNSCC) in Deutschland ist unklar. Bei steigenden Zahlen von Patienten mit Oropharynxkarzinomen wird gleichzeitig über die Zunahme einer jüngeren Subpopulation von Patienten mit humanen Papillomviren berichtet.
Using Ontologies and Vocabularies for Dynamic Linking (2008)

Ontology-based linking offers a solution to some of the problems with static, restricted, and inflexible traditional Web linking. Conceptual hypermedia provides navigation between Web resources, supported by a conceptual model, in which an ontology's definitions and structure, together with the lexical labels, drive the consistency of link provision and the linking's dynamic aspects. Lightweight standard representations make it possible to use existing vocabularies to support Web navigation and browsing. In this way, the navigation and linking of diverse resources (including those not in our control) based on a community understanding of the domain can be consistently managed.
Binding affinity and conformational preferences influence kinetic stability of short oligonucleotides on carbon nanotubes (2020)

Abstract DNA-wrapped single walled carbon nanotubes (SWNTs) have found a widespread use in a variety of nanotechnology applications. Yet, the relationship between structural conformation, binding affinity and kinetic stability of these polymers on SWNTs remains poorly understood. Here, we used molecular dynamics (MD) simulations and experiments to explore this relationship for short oligonucleotides adsorbed on SWNTs. First, using classical MD simulations of oligonucleotide-(9,4)-SWNT hybrid complexes, we explored the relationship between ssDNA and ssRNA surface conformation and sequence chemistry. We screened the conformation of 36 sequences of short ssDNA and ssRNA polymers on (9,4) SWNT, where the contour lengths were selected so the polymers can, to a first approximation, wrap once around the SWNT circumference. From these screens, we identified structural motifs that we broadly classified into “rings” and “non-rings.” Then, several sequences were selected for detailed investigations. We used temperature replica exchange MD calculations to compute two-dimensional free energy landscapes characterizing the conformations of select sequences. “Ring” conformations seemed to be driven primarily by sequence chemistry. Specifically, strong (n,n+2) nucleotide interactions and the ability of the polymer to form compact structures, as for example, through sharp bends in the nucleotide backbone, correlated with ring-forming propensity. However, ring-formation probability was found to be uncorrelated with free energy of oligonucleotide binding to SWNTs (ΔG bind ). Conformational analyses of oligonucleotides, computed free energy of binding of oligonucleotides to SWNTs, and experimentally determined kinetic stability measurements show that ΔG bind is the primary correlate for kinetic stability. The probability of the sequence to adopt a compact, ring-like conformation is shown to play a secondary role that still contributes measurably to kinetic stability. For example, sequences that form stable compact rings (C-rich sequences) could compensate for their relatively lower ΔG bind and exhibit kinetic stability, while sequences with strong ΔG bind (such as (TG) 3 (GT) 3 ) were found to be kinetically stable despite their low ring formation propensity. We conclude that the stability of adsorbed oligonucleotides is primarily driven by its free energy of binding and that if ring-like structural motifs form, they would contribute positively to stability. Abstract Figure
S1246 The Development of an Evidence-Based Management Algorithm for Iatrogenic Endoscopic Perforations and Its Impact on Physician Knowledge: A Quality Improvement Project (2020)

INTRODUCTION: Iatrogenic endoscopic perforations can lead to serious complications and death. If identified immediately, perforations can be closed endoscopically with a 90% success rate. Knowledge of acute management of iatrogenic perforations may decrease the associated morbidity and mortality. Therefore, the objectives of this study were to: (1) develop an evidence-based acute iatrogenic endoscopic perforation (AIEP) management algorithm that is available for quick reference in the GI lab; and (2) to study its impact on physicians’ knowledge. METHODS: AIEP management algorithm was created using the most current recommendations by ASGE/ESGE and additional input from advanced endoscopists, nurses, and anesthesiologists was obtained in an open discussion forum. Figure 1 shows the final AIEP management algorithm. We assessed change in physician knowledge using a pre-post study design. To accomplish this, we created a 10-item questionnaire (Figure 2) that assessed physicians' knowledge on the appropriate identification and treatment of an acute iatrogenic perforation. The questionnaire was filled out before (pre-test) and after (post-test) GI physicians and fellows read a standardized one-page educational material based on the aforementioned perforation algorithm. RESULTS: 29 subjects (8 fellows and 21 practicing gastroenterologists) participated in the assessments. Overall pre-test and post-test accuracies were 75% and 95% (P < 0.01), respectively. On pre-test, the biggest gaps in knowledge were seen in questions 3 and 4 (most sensitive imaging test to diagnose perforations and most common site of perforation during routine colonoscopy) among the fellows, and question 7 (TTS clips for max 10mm perforation closures) for the GI physicians. The fellows' pre-test and post-test accuracies were 67.5% and 96% (P < 0.01), and the practicing gastroenterologists' pre-test and post-test accuracies were 78% and 95% (P < 0.01) (Figure 3), respectively. CONCLUSION: Using standardized methodology and a multidisciplinary approach, an AIEP management algorithm was created in an effort to improve patient care and alleviate physician stress. Additionally, we showed that a brief one-page educational material can significantly improve physician knowledge on the appropriate identification and treatment of perforations. Future studies are required to evaluate if maintaining such algorithms as quick reference guides in the endoscopy suite can improve outcomes of patients in the event of an AIEP.Figure 1.: Ten question pre- and post-training assessment for acute iatrogenic endoscopic perforations, a quality improvement study in the GI lab.Figure 2.: Management algorithm for acute iatrogenic endoscopic perforations.Figure 3.: Panel A and B show the pre- and post-test accuracies per question for fellows and practicing gastroenterologists, respectively.
Performance of Deep Learning Models in Automatic Measurement of Ellipsoid Zone Area on Baseline Optical Coherence Tomography (OCT) Images From the Rate of Progression of USH2A-Related Retinal Degeneration (RUSH2A) Study (2022)

Additional training data improved the hybrid model's performance, especially reducing the bias and narrowing the range of the 95% limit of agreement when compared to manual grading. The close agreement of DL models to manual grading suggests that DL may provide effective tools to significantly reduce the burden of reading centers to analyze OCT scan images. In addition to EZ area, our DL models can also provide the measurements of photoreceptor outer segment volume and thickness to further help assess disease progression and to facilitate the study of structure and function relationship in RP.
Fault feature extraction for multiple electrical faults of aviation electro-mechanical actuator based on symbolic dynamics entropy (2015)

In this paper, a simple fault feature extraction method based on symbolic dynamics entropy is proposed for multiple electrical faults diagnosis in an electro-mechanical actuator. The symbolic dynamics feature is calculated from a time series, which is extracted from the dc-link current of the actuator. Comparing with other fault feature extraction scheme, this method has some advantages such as simpler computation, less data requirement and it can realize multiple faults detection. The proposed method is verified through simulation experiment in the first stage of our study. Fault injection methods on four typical electrical faults of the actuator are studied firstly. Then, by doing experiment under specific position command and load condition, the effectiveness of the fault feature to detect multiple electrical faults is verified.
On the nonequilibrium distribution of adatoms resulting from dissociative adsorption of a diatomic gas (1976)

Kinetic equations governing the distribution of adatoms resulting from irreversible, dissociative adsorption of homonuclear diatoms onto a two-dimensional lattice are derived. Desorption and atomic skating are ignored, which allows the problem to be conveniently formulated from a molecular viewpoint. The rate constant for adsorption is assumed to be of an Arrhenius form with an activation energy which consists of an additive contribution from the interaction of the adsorbing molecule with each adatom on the surface. Special attention is paid to the relationship between the molecular distribution resulting from irreversible adsorption and the equilibrium molecular distribution. The kinetic equations are solved as a power series in the covering fraction; the coefficients involve molecular cluster diagrams similar to those in equilibrium, virial expansions. Comparison of the nonequilibrium and equilibrium covering fraction expansions of the molecular pair distribution functions is made, and an illustrated example is considered for a case where the functions and their expansions can be evaluated exactly. Finally, the effect of the nonequilibrium distribution of adatoms on the configurational contribution to the thermodynamic properties of the adsorbate is discussed.
X-ray Fluorescence Imaging for High Resolution Elemental Mapping (2005)

Abstract X-ray fluorescence imaging is a novel non-destructive method to obtain sub-100nm spatial resolution elemental maps with short data acquisition times. The method has a wide range of applicability in the field of semiconductor manufacturing and semiconductor failure analysis. Imaging of copper interconnects on ICs for the location of voids and shorts is one particular application that is relevant for current and future needs of nondestructive inspection and failure analysis of backend processes.
Composite Practically Fixed Time Controller Design for a Hypersonic Vehicle With Multisource Uncertainty and Actuator Fault (2021)

This article addresses the tracking control problem of a hypersonic vehicle subject to multisource uncertainty and actuator fault. A composite fixed time control scheme is designed to achieve the stable tracking of velocity and altitude in fixed time. A nonsingular fast terminal sliding mode controller and a practically fixed-time backstepping controller are, respectively, developed for velocity subsystem and altitude subsystem. Fixed-time disturbance observer is used to tackle lumped uncertainties and a new fast fixed time filter is constructed to avoid the “explosion of terms” problem. Then, the fixed-time stability of velocity tracking error and the practically fixed-time stability of altitude tracking error are proved. Finally, compared simulations are carried out to present the efficiency of the designed control scheme.
About improving recognition of spontaneously uttered French city-names (2003)

This paper deals with the recognition of French city-names over the telephone. This recognition task, critical in many applications, involves a 40,000 city-name vocabulary, ranging from short monosyllabic words to long official compound-names. Data collected from a field experiment are analyzed, and several ways of improving speech recognition performance are investigated. This includes a careful checking of the pronunciation lexicon, acceptation of shorter forms (common names), adaptation of the acoustic models and introduction of specific noise models as well as a few frequent words and expressions to facilitate out-of-vocabulary data rejection. Experiments show that all these techniques help improving the overall recognition performances and nicely combine together.
A Short and Efficient Synthesis of the Selective H4 Receptor Agonist 4- Methylhistamine (2008)

An efficient synthesis of the selective H4 receptor agonist 4-methylhistamine is described. This approach can be used to prepare, without purification steps and in high yield, significant quantities of the product, useful as pharmacological tool to investigate the physiological roles of the histamine H4 receptor. Keywords: 4-methylhistamine, histamine, H4-receptor, n-butyllithium, H4-agonist, yield
Effects of both Shortening and Lengthening the Active Site Nucleophile of Bacillus circulans Xylanase on Catalytic Activity (1996)

The relative positioning of the two carboxyl groups at the active site of glycosidases is crucial to their function and the mechanism followed. The distance between these two groups in Bacillus circulans xylanase has been modified by mutagenesis of the catalytic nucleophile Glu78. An increase in the separation (Glu78Asp) results in a large (1600-5000-fold) reduction in the rate of the glycosylation step, but little change in the extent of bond cleavage or proton donation at the transition state. A decrease in the separation was achieved by selective carboxymethylation of the Glu78Cys mutant. This modified mutant was only 16-100-fold less active than wild-type enzyme, and its transition state structure was similarly unchanged. Complete removal of the carboxyl group (Glu78Cys) resulted in a mutant with no measurable catalytic activity. Furthermore, it did not even undergo the first step, glycosylation of the active site thiol. These results confirm the importance of precise positioning of the nucleophile at the active site of these enzymes.
Dissecting the antibacterial activity of oxadiazolone-core derivatives against Mycobacterium abscessus (2020)

Mycobacterium abscessus (M. abscessus), a rapidly growing mycobacterium, is an emergent opportunistic pathogen responsible for chronic bronchopulmonary infections in individuals with respiratory diseases such as cystic fibrosis. Most treatments of M. abscessus pulmonary infections are poorly effective due to the intrinsic resistance of this bacteria against a broad range of antibiotics including anti-tuberculosis agents. Consequently, the number of drugs that are efficient against M. abscessus remains limited. In this context, 19 oxadiazolone (OX) derivatives have been investigated for their antibacterial activity against both the rough (R) and smooth (S) variants of M. abscessus. Several OXs impair extracellular M. abscessus growth with moderated minimal inhibitory concentrations (MIC), or act intracellularly by inhibiting M. abscessus growth inside infected macrophages with MIC values similar to those of imipenem. Such promising results prompted us to identify the potential target enzymes of the sole extra and intracellular inhibitor of M. abscessus growth, i.e., compound iBpPPOX, via activity-based protein profiling combined with mass spectrometry. This approach led to the identification of 21 potential protein candidates being mostly involved in M. abscessus lipid metabolism and/or in cell wall biosynthesis. Among them, the Ag85C protein has been confirmed as a vulnerable target of iBpPPOX. This study clearly emphasizes the potential of the OX derivatives to inhibit the extracellular and/or intracellular growth of M. abscessus by targeting various enzymes potentially involved in many physiological processes of this most drug-resistant mycobacterial species.