gebhart/patrepeval huggingface dataset:
C−O and C−S Bonds:  Stability, Bond Dissociation Energies, and Resonance Stabilization (1998)

The structures and energies of the compounds XC(O)OH, XC(S)OH, XC(O)SH, and XC(S)SH, where X = CH3, NH2, OH, and F, were obtained at the MP2/6-31+G(2d) theoretical level, and energies were calculated at the MP3/6-311++G(2d,p), CBS-4, and G2 theoretical levels. These data show that XC(O)SH is preferred over XC(S)OH by 5 kcal/mol with X = CH3, and the preference increases to 12 kcal/mol with X = F. The C−O(H) bond dissociation energies were greater than the C−S(H) energies by approximately 30 kcal/mol and were only weakly affected by the nature of X attached to the carbonyl carbon. Calculated bond dissociation energies reveal that a CO bond is significantly stronger than a CS bond (by about 40 kcal/mol). The calculated atomic charges and bond orders demonstrated that a double bond to oxygen had a much larger effect on the attached carbon than did a single bond to oxygen. The CO covalent bond orders were about 1.2, in accord with their considerable ionic character, while the CS covalent bond orders were close to 2.0. Differences between the MP2/6-31+G(d) charge density for the ground state and the bond rotation transition state were used to investigate the nature of the electronic reorganization that occurs during bond rotation. This approach revealed that intramolecular charge transfer was greater for C−N bond rotation than for C−O bond rotation and greater for C−O rotation than for C−S rotation. Furthermore, polarization was greater for CS than for CO with all rotating groups by almost a factor of 2, in accord with the greater amount of charge transfer known to accompany bond rotation in thioamides as compared to amides. In all cases, the ground state exhibited charge transfer in the π system to the terminal carbonyl oxygen or thiocarbonyl sulfur atom that was partially counteracted by charge transfer in the σ system in the opposite direction.
4D flow MRI quantification of mitral and tricuspid regurgitation: Reproducibility and consistency relative to conventional MRI (2018)

4 Technical Efficacy: Stage 2 J. Magn. Reson. Imaging 2018;48:1147-1158.
Pironetin, a Novel Plant Growth Regulator Produced by Streptomyces sp. NK10958 III. Biosynthesis. (1995)

Our ongoing research for antimicrobial compounds from soil borne microorganisms1)2) have resulted in the repeat isolation of a complex (1) azalomycins F3a, F4a and F5a3) from Streptomyces hygroscopicus, MSU/MN-4-75B. The compounds showed a broad spectrum antibacterial and antifungal activities similar to the activities reported earlier4'5). Also, the excellent zones of inhibition wereobtained against asparagus (Asparagus officinalis) pathogens Fusarium moliniforme and Fusarium oxysporumas well as powderymildew pathogen Botrytis spp. The structural work of the azalomycin F complex isolated in our laboratory revealed some additional information which is not reported earlier. Therefore, we propose a revised structure for azalomycins F3a, F4a and F5a. Cultures of Streptomyces hygroscopicus (6 liters), C-l 170.02 C-21 65.58 C-41 130.
Path Planning System for Smart Cars Used in Education (2020)

In this paper, we developed a path planning system for smart cars for teaching electronic engineering or computer science, which consists of the interactive platform for smart cars development and path planning. Designed by Visual C++, the interactive platform can call Matlab engine, allows users to choose path optimization algorithms such as genetic or A-star(A*) algorithm for different tasks and control smart cars through serial ports. The simulation and practice demonstrate that our interactive platform can help learners to plan paths and control intelligent vehicles without specially designing a user interface.
Cognitive endpoints for therapy development for neuronopathic mucopolysaccharidoses: Results of a consensus procedure (2020)

AbstractThe design and conduct of clinical studies to evaluate the effects of novel therapies on central nervous system manifestations in children with neuronopathic mucopolysaccharidoses is challenging. Owing to the rarity of these disorders, multinational studies are often needed to recruit enough patients to provide meaningful data and statistical power. This can make the consistent collection of reliable data across study sites difficult. To address these challenges, an International MPS Consensus Conference for Cognitive Endpoints was convened to discuss approaches for evaluating cognitive and adaptive function in patients with mucopolysaccharidoses. The goal was to develop a consensus on best practice for the design and conduct of clinical studies investigating novel therapies for these conditions, with particular focus on the most appropriate outcome measures for cognitive function and adaptive behavior. The outcomes from the consensus panel discussion are reported here.
Expression of the gene for inducible nitric oxide synthase in experimental glomerulonephritis in the rat (1994)

Nitrite, a stable product of nitric oxide (NO), is synthesized in vitro by glomeruli in experimental glomerulonephritis. We have now studied the expression of the gene for inducible NO synthase (iNOS) in accelerated nephrotoxic nephritis (NTN). The purpose of the study was to confirm in vivo induction of iNOS in this model of immune complex disease, and to relate the onset of induction and the level of expression to pathogenic events in the model. Glomeruli from rats with NTN were isolated at 6 h, 24 h and 2, 4 and 7 days and total RNA extracted. RNA (10 micrograms) was reverse transcribed and polymerase chain reaction (PCR) was performed with primers homologous to rat vascular smooth muscle iNOS and rat beta actin. A 222-base PCR product corresponding to iNOS mRNA was present in all experimental animals. iNOS expression was also found in activated macrophages, neutrophils and IL-1-stimulated but not unstimulated mesangial cells. Quantitative competitive PCR was carried out on glomerular samples using a 514-bp mutant of a 735-bp PCR product. iNOS expression was present at low levels in normal glomeruli and was markedly enhanced at 6 h after the induction of glomerulonephritis and peaked at 24 h. Increased iNOS expression persisted to day 7. beta actin mRNA levels were similar in all glomerular specimens. This study demonstrates that there is in vivo induction of iNOS in immune complex glomerulonephritis, corresponding to the generation of nitrite we have previously reported. iNOS gene expression is detectable within 6 h of induction of NTN, indicating the onset of gene transcription is closely related to the initial formation of immune complexes.
Revolutionizing prosthetics - laying an open architecture foundation for collaborative research and design (2008)

The Revolutionizing Prosthetics 2009 (RP2009) Program is an aggressive four year program funded by the Defense Advance Research Projects Agency (DARPA). The program seeks to develop a new generation of modular upper extremity limb systems, neural interface devices and clinical tools that will significantly improve patient acceptance and outcomes for upper extremity prosthetic users. The goal is to develop limbs that look, behave and are controlled more naturally than any prosthetic limbs to date. As a result, the team involves over 30 organizations and spans a full range of disciplines from engineering, scientific research, medicine and rehabilitation. The talk will discuss the implications of “Revolutionizing” the field and will challenge the audience to leverage their own research towards common goals via the open system architecture foundation of the program.
Progress in super long loop prediction (2011)

Sampling errors are very common in super long loop (referring here to loops that have more than thirteen residues) prediction, simply because the sampling space is vast. We have developed a dipeptide segment sampling algorithm to solve this problem. As a first step in evaluating the performance of this algorithm, it was applied to the problem of reconstructing loops in native protein structures. With a newly constructed test set of 89 loops ranging from 14 to 17 residues, this method obtains average/median global backbone root-mean-square deviations (RMSDs) to the native structure (superimposing the body of the protein, not the loop itself) of 1.46/0.68 Å. Specifically, results for loops of various lengths are 1.19/0.67 Å for 36 fourteen-residue loops, 1.55/0.75 Å for 30 fifteen-residue loops, 1.43/0.80 Å for 14 sixteen-residue loops, and 2.30/1.92 Å for nine seventeen-residue loops. In the vast majority of cases, the method locates energy minima that are lower than or equal to that of the minimized native loop, thus indicating that the new sampling method is successful and rarely limits prediction accuracy. Median RMSDs are substantially lower than the averages because of a small number of outliers. The causes of these failures are examined in some detail, and some can be attributed to flaws in the energy function, such as π-π interactions are not accurately accounted for by the OPLS-AA force field we employed in this study. By introducing a new energy model which has a superior description of π-π interactions, significantly better results were achieved for quite a few former outliers. Crystal packing is explicitly included in order to provide a fair comparison with crystal structures.
CAT-02-106, a Site-Specifically Conjugated Anti-CD22 Antibody Bearing an MDR1-Resistant Maytansine Payload Yields Excellent Efficacy and Safety in Preclinical Models (2017)

Hematologically derived tumors make up ∼10% of all newly diagnosed cancer cases in the United States. Of these, the non-Hodgkin lymphoma (NHL) designation describes a diverse group of cancers that collectively rank among the top 10 most commonly diagnosed cancers worldwide. Although long-term survival trends are improving, there remains a significant unmet clinical need for treatments to help patients with relapsed or refractory disease, one cause of which is drug efflux through upregulation of xenobiotic pumps, such as MDR1. CD22 is a clinically validated target for the treatment of NHL, but no anti-CD22 agents have yet been approved for this indication. Recent approval of an anti-CD22 antibody-drug conjugate (ADC) for the treatment of relapsed/refractory ALL supports the rationale for targeting this protein. An opportunity exists for a next-generation anti-CD22 antibody-drug conjugate (ADC) to address unmet medical needs in the relapsed/refractory NHL population. We describe a site-specifically conjugated antibody-drug conjugate, made using aldehyde tag technology, targeted against CD22 and bearing a noncleavable maytansine payload that is resistant to MDR1-mediated efflux. The construct was efficacious against CD22<sup>+</sup> NHL xenografts and could be repeatedly dosed in cynomolgus monkeys at 60 mg/kg with no observed significantly adverse effects. Exposure to total ADC at these doses (as assessed by AUC<sub>0-inf</sub>) indicated that the exposure needed to achieve efficacy was below tolerable limits. Together, the data suggest that this drug has the potential to be used effectively in patients with CD22<sup>+</sup> tumors that have developed MDR1-related resistance to prior therapies. <i>Mol Cancer Ther; 17(1); 161-8. ©2017 AACR</i>.
Low power Stirling engine for underwater vehicle applications (2002)

The selection and design of a power system for any form of underwater vehicle is an extremely complex and difficult task. The system must be capable of providing the vehicle with the required mission performance in terms of power and energy and also be volumetrically and gravimetrically compact. When the vehicle to be used is a newly designed US Navy Diver Propulsion Vehicle (DPV), other power system constraints are highlighted. These constraints include limited vehicle diameter, high performance operation, low power requirements, safety and a nonmagnetic signature. Of the many power systems available, very few can fulfil the design criteria for the DPV. One system that can is the hydrocarbon fuelled Stirling engine-a dynamic heat engine using an external combustion system. This paper describes the application of the Stirling engine for underwater duties, and in particular the selection, design and development of a Stirling engine powered DPV. Details are given of the specialist vehicle requirements, engine selection and design and the development of a combustion gas recirculation system to enable pure gaseous oxygen to be used as the combustion oxidant. In addition, details are given of the restrictions imposed on component design and manufacture by the low vehicle power requirements.
Associations between brain microstructures, metabolites, and cognitive deficits during chronic HIV-1 infection of humanized mice (2014)

The findings are consistent with some of the clinical, biochemical and pathobiologic features of human HIV-1 nervous system infections. This model will prove useful towards investigating the mechanisms of HIV-1 induced neuropathology and in developing novel biomarkers and therapeutic strategies for disease.
Data from Regulation of CEACAM5 and Therapeutic Efficacy of an Anti-CEACAM5–SN38 Antibody–drug Conjugate in Neuroendocrine Prostate Cancer (2023)

&lt;div&gt;AbstractPurpose:&lt;p&gt;Neuroendocrine prostate cancer (NEPC) is an aggressive form of castration-resistant prostate cancer (CRPC) for which effective therapies are lacking. We previously identified carcinoembryonic antigen-related cell adhesion molecule 5 (CEACAM5) as a promising NEPC cell surface antigen. Here we investigated the scope of CEACAM5 expression in end-stage prostate cancer, the basis for CEACAM5 enrichment in NEPC, and the therapeutic potential of the CEACAM5 antibody–drug conjugate labetuzumab govitecan in prostate cancer.&lt;/p&gt;Experimental Design:&lt;p&gt;The expression of CEACAM5 and other clinically relevant antigens was characterized by multiplex immunofluorescence of a tissue microarray comprising metastatic tumors from 34 lethal metastatic CRPC (mCRPC) cases. A genetically defined neuroendocrine transdifferentiation assay of prostate cancer was developed to evaluate mechanisms of CEACAM5 regulation in NEPC. The specificity and efficacy of labetuzumab govitecan was determined in CEACAM5&lt;sup&gt;+&lt;/sup&gt; prostate cancer cell lines and patient-derived xenografts models.&lt;/p&gt;Results:&lt;p&gt;CEACAM5 expression was enriched in NEPC compared with other mCRPC subtypes and minimally overlapped with prostate-specific membrane antigen, prostate stem cell antigen, and trophoblast cell surface antigen 2 expression. We focused on a correlation between the expression of the pioneer transcription factor &lt;i&gt;ASCL1&lt;/i&gt; and &lt;i&gt;CEACAM5&lt;/i&gt; to determine that ASCL1 can drive neuroendocrine reprogramming of prostate cancer which is associated with increased chromatin accessibility of the &lt;i&gt;CEACAM5&lt;/i&gt; core promoter and CEACAM5 expression. Labetuzumab govitecan induced DNA damage in CEACAM5&lt;sup&gt;+&lt;/sup&gt; prostate cancer cell lines and marked antitumor responses in CEACAM5&lt;sup&gt;+&lt;/sup&gt; CRPC xenograft models including chemotherapy-resistant NEPC.&lt;/p&gt;Conclusions:&lt;p&gt;Our findings provide insights into the scope and regulation of CEACAM5 expression in prostate cancer and strong support for clinical studies of labetuzumab govitecan for NEPC.&lt;/p&gt;&lt;/div&gt;
Rank Two Bipartite Bound Entangled States Do Not Exist (1999)

We explore the relation between the rank of a bipartite density matrix and the existence of bound entanglement. We show a relation between the rank, marginal ranks, and distillability of a mixed state and use this to prove that any rank n bound entangled state must have support on no more than an n \times n Hilbert space. A direct consequence of this result is that there are no bipartite bound entangled states of rank two. We also show that a separability condition in terms of a quantum entropy inequality is associated with the above results. We explore the idea of how many pure states are needed in a mixture to cancel the distillable entanglement of a Schmidt rank n pure state and provide a lower bound of n-1. We also prove that a mixture of a non-zero amount of any pure entangled state with a pure product state is distillable.
&lt;title&gt;Scanning ablation of dental hard tissue with Erbium laser radiation&lt;/title&gt; (1996)

Pulsed laser radiation in the range of very high water absorption near 3 micrometer is well known to be effective for the ablation of dental hard tissues. However ablation quality is limited by thermal side effects if using higher pulse repetition rates. This paper presents qualitative and quantitative results of dentin and enamel ablation with a scanned laser beam (emission wavelength 2.94 micrometer) and simultaneously, use of spray cooling. It is known that ablation of enamel is more problematic because of the low content of water. It was observed that the creation of unwanted 'recrystallizations' depended on a complex dependence of spot size, energy density, quantity of spray cooling and pulse duration. 'Recrystallizations' can be prevented by using optimized parameters.
Anforderungen an die Workflow-Unterstutzung fur wissensintensive Geschaftsprozesse (2001)

Zusammenfassung Wissensmanagement zielt darauf ab, die Durchfuhrung wissensintensiver Geschaftsprozesse im Unternehmen effizienter und effektiver zu machen. Wahrend Software-Unterstutzung fur das WM momentan vorwiegend auf Kommunikationsund Kollaborations-Unterstutzung bzw. verbessertes Informationsmanagement baut, war ein gezielter Geschaftsprozessbzw. Workflow-Support fur wissensintensive Tatigkeiten bisher kaum Gegenstand der Betrachtung. Ausgehend von einer Zusammenfassung der Merkmale gegenwartiger Workflowmanagementsysteme und einer Charakterisierung wissensintensiver Aktivitaten, leiten wir in diesem Papier Anforderungen fur eine Prozessmanagement-Unterstutzung fur den Wissensarbeiter ab, skizzieren einige existierende Arbeiten in diese Richtung und diskutieren unsere momentane Konzeption zur softwaretechnischen Umsetzung der gewunschten Funktionalitaten.
Crystal structures of a natural DNA polymerase that functions as an XNA reverse transcriptase (2019)

Replicative DNA polymerases are highly efficient enzymes that maintain stringent geometric control over shape and orientation of the template and incoming nucleoside triphosphate. In a surprising twist to this paradigm, a naturally occurring bacterial DNA polymerase I member isolated from Geobacillus stearothermophilus (Bst) exhibits an innate ability to reverse transcribe RNA and other synthetic congeners (XNAs) into DNA. This observation raises the interesting question of how a replicative DNA polymerase is able to recognize templates of diverse chemical composition. Here, we present crystal structures of natural Bst DNA polymerase that capture the post-translocated product of DNA synthesis on templates composed entirely of 2'-deoxy-2'-fluoro-β-d-arabino nucleic acid (FANA) and α-l-threofuranosyl nucleic acid (TNA). Analysis of the enzyme active site reveals the importance of structural plasticity as a possible mechanism for XNA-dependent DNA synthesis and provides insights into the construction of variants with improved activity.
Solutions for the electrical interfacial problem between a dielectric liquid and a metallic wall: applications to industry (2002)

This paper deals with the diffuse layer present at the interface between a liquid and a solid in a cylindrical geometry. After having set out the governing equations of the phenomenon in the most general case, we present the real solution, asymptotic solutions and an approach solution. The first one has been obtained numerically and the last one comes from an empirical approach. In the last part of the paper we compare the different profiles of space charge density obtained by the different ways which are mentioned above. We also compare the corresponding convected mean space charge densities in terms of the radius of the pipe and the space charge density at the wall. This leads to determination of the cases in which we can use the empirical solution which is of a great interest for industry.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">&gt;</ETX>
Increased Bone Mass in Mice Lacking the Adipokine Apelin (2013)

Adipose tissue plays an important role in skeletal homeostasis, and there is interest in identifying adipokines that influence bone mass. One such adipokine may be apelin, a ligand for the Gi-G protein-coupled receptor APJ, which has been reported to enhance mitogenesis and suppress apoptosis in MC3T3-E1 cells and primary human osteoblasts (OBs). However, it is unclear whether apelin plays a physiological role in regulating skeletal homeostasis in vivo. In this study, we compared the skeletal phenotypes of apelin knockout (APKO) and wild-type mice and investigated the direct effects of apelin on bone cells in vitro. The increased fractional cancellous bone volume at the distal femur was observed in APKO mice of both genders at 12 weeks of age and persisted until the age of 20. Cortical bone perimeter at the femoral midshaft was significantly increased in males and females at both time points. Dynamic histomorphometry revealed that APKO mice had increased rates of bone formation and mineral apposition, with evidences of accelerated OB proliferation and differentiation, without significant alteration in osteoclast activity. An in vitro study showed that apelin increased proliferation of primary mouse OBs as well as suppressed apoptosis in a dose-dependent manner with the maximum effect at 5nM. However, it had no effect on the formation of mineralized nodules. We did not observed significantly altered in osteoclast parameters in vitro. Taken together, the increased bone mass in mice lacking apelin suggested complex direct and paracrine/endocrine effects of apelin on bone, possibly via modulating insulin sensitivity. These results indicate that apelin functions as a physiologically significant antianabolic factor in bone in vivo.
Multifunctional Hyperuniform Cellular Networks: Optimality, Anisotropy and Disorder (2018)

Disordered hyperuniform heterogeneous materials are new, exotic amorphous states of matter that behave like crystals in the manner in which they suppress volume-fraction fluctuations at large length scales, and yet are statistically isotropic with no Bragg peaks. It has recently been shown that disordered hyperuniform dielectric two-dimensional cellular network solids possess complete photonic band gaps comparable in size to photonic crystals, while at the same time maintaining statistical isotropy, enabling waveguide geometries not possible with photonic crystals. Motivated by these developments, we explore other functionalities of various two-dimensional ordered and disordered hyperuniform cellular networks, including their effective thermal or electrical conductivities and elastic moduli. We establish the multifunctionality of a class of such low-density networks by demonstrating that they maximize or virtually maximize the effective conductivities and elastic moduli. This is accomplished using the machinery of homogenization theory, including optimal bounds and cross-property bounds, and statistical mechanics. We have identified ordered and disordered hyperuniform low-weight cellular networks that are multifunctional with respect to transport (e.g., heat dissipation and fluid transport), mechanical and electromagnetic properties, which can be readily fabricated using 3D printing and lithographic technologies.
Stanisław Kozicki o Action Francaise, Mussolinim, faszyzmie i stosunkach polsko-włoskich. Zapiski (2018)

Stanisław Kozicki on Action Francaise, Mussolini, Fascism and PolishItalian Relations. Michał Gwalbert Pawlikowski’s Notes from the Interview with Stanisław Kozicki [August 14, 1928]