gebhart/patrepeval huggingface dataset:
Dichloro[[2-(1-methylethoxy-O)phenyl]-methylene] (tricyclohexylphosphine) Ruthenium (2013)

[203714-71-0] C28H45Cl2OPRu (MW 600.61)





InChI = 1S/C18H33P.C10H12O.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8(2)11-10-7-5-4-6-9(10)3;;;/h16-18H,1-15H2;3-8H,1-2H3;2*1H;/q;;;;+2/p-2



InChIKey = KMKCJXPECJFQPQ-UHFFFAOYSA-L



(well-defined, stable ruthenium carbene used as a recyclable olefin metathesis catalyst)



Physical Data: mp 200–201 °C.



Solubility: dichloromethane, chloroform, benzene, alcohols, and other organic solvents.



Form Supplied in: dark brown crystalline solid.



Analysis of Reagent Purity: carbene proton appears as a doublet (JPH = 4.4 Hz) by 1H NMR at 17.44 ppm.



Preparative Methods: prepared by the treatment of Cl2Ru(PPh3)3 with 2-isopropoxyphenyldiazomethane in dichloromethane at −78 °C for 10 min. The PPh3 ligand is readily exchanged upon treatment with 2.0 equiv of PCy3 in dichloromethane.



Purity: silica gel chromatography and recrystallization as thin needles by dissolution in warm hexanes and subsequent storage at 0 °C.



Handling, Storage, and Precautions: stable indefinitely in air as a solid; oxidation of the carbene unit occurs slowly (weeks or months) when dissolved in non-distilled, non-degassed solvents.
Alternatively spliced isoform of apical Na+-K+-Cl−cotransporter gene encodes a furosemide-sensitive Na+-Cl−cotransporter (2001)

In the absence of vasopressin, medullary thick ascending limb cells express a K(+)-independent, furosemide-sensitive Na(+)-Cl(-) cotransporter that is inhibited by hypertonicity. The murine renal specific Na(+)-K(+)-2 Cl(-) cotransporter gene (SLC12A1) gives rise to six alternatively spliced isoforms. Three feature a long COOH-terminal domain that encodes the butmetanide-sensitive Na(+)-K(+)-2 Cl(-) cotransporter (BSC1-9/NKCC2), and three with a short COOH-terminal domain, known as mBSC1-A4, B4, or F4 (19). Here we have determined the functional characteristics of mBSC1-A4, as expressed in Xenopus laevis oocytes. When incubated at normal oocyte osmolarity (approximately 200 mosmol/kgH(2)O), mBSC1-4-injected oocytes do not express significant Na(+) uptake over H(2)O-injected controls, and immunohistochemical analysis shows that the majority of mBSC1-4 protein is in the oocyte cytoplasm and not at the plasma membrane. In contrast, when mBSC1-4 oocytes are exposed to hypotonicity (approximately 100 mosmol/kgH(2)O), a significant increase in Na(+) uptake but not in (86)Rb(+) uptake is observed. The increased Na(+) uptake is Cl(-) dependent, furosemide sensitive, and cAMP sensitive but K(+) independent. Sodium uptake increases with decreasing osmolarity between 120 and 70 mosmol/kgH(2)O (r = 0.95, P < 0.01). Immunohistochemical analysis shows that in hypotonic conditions mBSC1-A4 protein is expressed in the plasma membrane. These studies indicate that the mBSC1-A4 isoform of the SLC12A1 gene encodes a hypotonically activated, cAMP- and furosemide-sensitive Na(+)-Cl(-) cotransporter. Thus it is possible that alternative splicing of the BSC1 gene could provide the molecular mechanism enabling the Na(+)-Cl(-)-to-Na(+)-K(+)-2Cl(-) switching in thick ascending limb cells.
The role of IL-17 in the protective immune response to Mycobacterium tuberculosis (44.18) (2009)

Abstract Mycobacterium tuberculosis (Mtb) infection kills more than 1.5 million people each year. While BCG prevents disseminated disease in children, a vaccine that confers long lasting protection from tuberculosis remains elusive. Previous work has demonstrated that expression of IL-17 in response to Mtb antigens supported resistance during subsequent infection. This suggests that an effective tuberculosis vaccine should induce IL-17. We hypothesized that a vaccine, comprised of ID83 and a TLR4 agonist/adjuvant protects against tuberculosis, in part by inducing IL-17. We characterized expression of IL-17 during the response to vaccination of C57Bl/6 mice. We found that IL-17 was produced by γδ T cells, Th17 cells, and also CD8 T cells in response to immunization. IL-17 expression was far more robust in the memory response to Mtb antigens, either during re-stimulation with vaccine antigens or during Mtb infection, than in the primary response. In continuing studies, we investigate the role of IL-17 in response to Mtb antigens and its role in protection that results from ID83 vaccination. This work was supported by NIH Contract N01-AI-25479, and NIH grants AI-44373, AI-067251 and AI-078054.
Supplementary Tables from NAP1051, a Lipoxin A4 Biomimetic Analogue, Demonstrates Antitumor Activity Against the Tumor Microenvironment (2023)

&lt;p&gt;Table S1 lists flow cytometry antibodies and panel design. Table S2 lists primers for RT-PCR analyses. Table S3 includes antibodies for immunohistochemistry and immunofluorescent staining.&lt;/p&gt;
Interstitial deletion of bands 11q21?22.3 in a three-year-old girl defined using fluorescence in situ hybridization on metaphase chromosomes (1999)

A 3-year-old girl has a de novo deletion of 11q21-22.3. The patient was studied because of minor anomalies, disproportionate short stature, and developmental delay. The deletion was first detected by conventional cytogenetic analysis and defined further by using chromosome 11-specific YAC clones by fluorescent in situ hybridization (FISH) on metaphase chromosomes. Three YAC clones, 11H7, 4A5, and IH4, were lacking from one of the patient's chromosome 11. Trigonocepahly, hypertelorism, apparently low-set ears, mild renal abnormality, and delay in speech development found in our patient are similar findings in other published interstitial deletion cases. Our study shows that a molecular cytogenetic approach is useful in defining the specific location and the extent of an interstitial deletion in cytogenetically difficult areas such as 11q.
Synthesis of New 9,15-Cyclogibberellins from Developing Apple Seeds: Confirmation of Structure for GA 105 and GA 108 (1997)

The structures of two new gibberellins (GA105 and GA108) from developing apple seeds were confirmed as 2ß- and 11ß-hydroxy-9,15-cyclo-GA9, respectively, by synthesis of their methyl esters (7) and (8); the analogous 1a-, 2a- and 11a-isomers were also prepared, the last two being identified as metabolites of 9,15-cyclo-GA9 (2) formed in feeding experiments with fern prothallia of Lygodium circinnatum . The route to (7) began with the Birch reduction of gibberellic acid (GA3) methyl ester 3,13-dimesylate, thereby removing the oxygen substituents from C3 and C13. A series of iodolactonizations and elimination processes followed by ozonolysis of the 17-methylene group furnished (19) which, on treatment with potassium hydride, underwent intramolecular alkylation to afford the cyclogibberellin (20). Further functional group manipulation then led to (7) via its 2a-epimer (23). The previously prepared 11ß-bromocyclogibberellin (28) was also subjected to a series of functional group manipulations and deletions to afford the 11a-hydroxy analogue (33), and thence the 11ß-epimer (8) by means of an oxidation/reduction cycle; 1a-hydroxycyclo-GA9 methyl ester (26) was similarly prepared from the methyl ester of the known 1ß-epimer (3).
New Approach to Improve X-Ray Diffraction Pattern of Protein Crystal Using UV-Laser Ablative Processing (2004)

A newly proposed processing technique for protein crystals, Pulsed UV Laser Soft Ablation (PULSA), is found to be practically useful for X-ray diffraction analysis. We experimentally confirmed that a diffraction pattern from a cracked protein crystal was considerably improved by eliminating the damaged section with the PULSA processing. This technique will enable us to easily process protein crystals mounted on X-ray diffraction equipments without any extra mechanical handling of the crystals.
Challenges of developing artificial intelligence‐assisted tools for clinical medicine (2021)

Machine learning, a subset of artificial intelligence (AI), is a set of computational tools that can be used to enhance provision of clinical care in all areas of medicine. Gastroenterology and hepatology utilize multiple sources of information, including visual findings on endoscopy, radiologic imaging, manometric testing, genomes, proteomes, and metabolomes. However, clinical care is complex and requires a thoughtful approach to best deploy AI tools to improve quality of care and bring value to patients and providers. On the operational level, AI-assisted clinical management should consider logistic challenges in care delivery, data management, and algorithmic stewardship. There is still much work to be done on a broader societal level in developing ethical, regulatory, and reimbursement frameworks. A multidisciplinary approach and awareness of AI tools will create a vibrant ecosystem for using AI-assisted tools to guide and enhance clinical practice. From optically enhanced endoscopy to clinical decision support for risk stratification, AI tools will potentially transform our practice by leveraging massive amounts of data to personalize care to the right patient, in the right amount, at the right time.
Confocal backscattering spectroscopy for leukemic and normal blood cell discrimination (2011)

Leukemia is the most common pediatric cancer and leading cause of cancer related deaths in children. Improvements in the assessment of leukemic cells have the potential to influence not only the diagnosis of leukemia, but also the risk assessment of patients during the course of the treatment, both of which are important for improving the cure rate for this disease. In this study, we report on the design and performance of a confocal laser based system built to collect backscattered light over a range of 26° at 405, 488, and 633 nm to discriminate leukemic cells from normal red blood cells (RBC) and white blood cells (WBC). The design of the system is based on the spectral differences observed from spectroscopy measurements with a similar system designed with a white light source. Significant differences are observed in the intensity and wavelength dependence of leukemic cells from normal RBC and WBC. Specifically, the distinct light scattering of RBC is due to hemoglobin absorption, allowing for its discrimination from leukemic cells, mononuclear, and polymorphonuclear WBC particularly at certain wavelengths. Meanwhile, the high scattering intensities of polymorphonuclear WBC reflect the intracellular complexity of these cells in comparison to the leukemic or normal lymphocytes. Additionally, the detected light scattering spectra for leukemic cells are consistently steeper in comparison to normal WBC, which we attributed to differences in the fractal organization of intracellular scatterers. Based on our findings, the system has potential applications in the detection and quantification of leukemic cells in blood either in vivo or in vitro, using microfluidic-based systems, for disease monitoring.
Funnel ratchets in biology at low Reynolds number: choanotaxis (2008)

We present an example of a ratchet phenomena in biology consisting of swimming bacteria in an enclosed structure separated by a wall of funnels. The funnels serve to concentrate bacteria that are motile, in spite of the fact that the motion occurs at low Reynolds numbers and would be expected to be time reversible invariant. We discuss some of the basic ideas which underly the phenomena including spatial and temporal coherence of the motion of bacteria and interaction of the bacteria with surfaces.
Heavy Heparin: A Stable Isotope‐Enriched, Chemoenzymatically‐Synthesized, Poly‐Component Drug (2019)

Abstract Heparin is a highly sulfated, complex polysaccharide and widely used anticoagulant pharmaceutical. In this work, we chemoenzymatically synthesized perdeuteroheparin from biosynthetically enriched heparosan precursor obtained from microbial culture in deuterated medium. Chemical de‐ N ‐acetylation, chemical N ‐sulfation, enzymatic epimerization, and enzymatic sulfation with recombinant heparin biosynthetic enzymes afforded perdeuteroheparin comparable to pharmaceutical heparin. A series of applications for heavy heparin and its heavy biosynthetic intermediates are demonstrated, including generation of stable isotope labeled disaccharide standards, development of a non‐radioactive NMR assay for glucuronosyl‐C5‐epimerase, and background‐free quantification of in vivo half‐life following administration to rabbits. We anticipate that this approach can be extended to produce other isotope‐enriched glycosaminoglycans.
New class of cw high-power diode-pumped alkali lasers (DPALs) (2004)

The new class of diode-pumped alkali vapor lasers (DPALs) offers high efficiency cw laser radiation at near-infrared wavelengths: cesium 895 nm, rubidium 795 nm, and potassium 770 nm. The working physical principles of DPALs will be presented. Initial 795 nm Rb and 895 nm Cs laser experiments performed using a titanium sapphire laser as a surrogate pump source demonstrated DPAL slope power conversion efficiencies in the 50-70% range, in excellent agreement with device models utilizing only literature spectroscopic and kinetic data. Using these benchmarked models for Rb and Cs, optimized DPALs with optical-optical efficiencies &gt;60%, and electrical efficiencies of 25-30% are projected. DPAL device architectures for near-diffraction-limited power scaling into the high kilowatt power regime from a single aperture will be described. DPAL wavelengths of operation offer ideal matches to silicon and gallium arsenide based photovoltaic power conversion cells for efficient power beaming.
IP Multicast via Satellite: A Survey (2003)

Many of the emerging applications in the Internet, such as tele-conferencing, distance-learning, distributed games, software updates, and distributed computing would benefit from multicast services. In many of these applications, there is a need to distribute information to many sites that are widely dispersed from each other. Communication satellites are a natural technology option and are extremely well suited for carrying such services. Despite the potential of satellite multicast, there exists little support for satellite IP multicast services. Both Internet Engineering and Internet Research Task Forces (IETF and IRTF) have been involved in a research effort to identify the design space for a general purpose reliable multicast protocol and standardize certain protocol components as building blocks. However, for satellite multicast services, several of these components have a different design space. In this paper, we attempt to provide an overview of the design space and the ways in which the network deployment and application requirements affect the solution space. We maintain a similar taxonomy to that of the IETF efforts, and identify which key components of a general multicast protocol are affected by two of the most common satellite network deployment scenarios. We also highlight some of the issues which we think are critical in the development of next generation satellite IP multicast services.
Modulating the Serotonin Receptor Spectrum of Pulicatin Natural Products (2017)

Serotonin (5-HT) receptors are important in health and disease, but the existence of 14 subtypes necessitates selective ligands. Previously, the pulicatins were identified as ligands that specifically bound to the subtype 5-HT<sub>2B</sub> in the 500 nM to 10 μM range and that exhibited in vitro effects on cultured mouse neurons. Here, we examined the structure-activity relationship of 30 synthetic and natural pulicatin derivatives using binding, receptor functionality, and in vivo assays. The results reveal the 2-arylthiazoline scaffold as a tunable serotonin receptor-targeting pharmacophore. Tests in mice show potential antiseizure and antinociceptive activities at high doses without motor impairment.
Genetic Tuning of Iron Oxide Nanoparticle Size, Shape, and Surface Properties in Magnetospirillum magneticum (2020)

Abstract Different applications require iron oxide nanoparticles (IONPs) of varying size, shape, crystallinity, and surfaces that can be controlled through the synthesis reaction conditions. Under ambient conditions, Magnetospirillum magneticum AMB‐1 builds uniform Fe 3 O 4 IONPs with shapes and crystal forms difficult to achieve with chemical synthesis. Genetic engineering can be used to change their properties, but there are few tools to fine‐tune expression over a wide range. To this end, ribosome binding sites, minimal constitutive promoters, and inducible systems (IPTG, aTc, and OC6) with large dynamic range are designed. These are used to control M. magneticum genes that affect IONP properties, including size ( mamC ), morphology ( mms6 ), chain length ( mamK ), and surface coating ( mamC fusions). These systems increase the fraction of IONPs that are less than 30 nm, produce rounded particles, and lead to the production of intracellular chains with 24 or more IONPs. In addition, the R5 peptide from diatoms is found to silica coat the surface of metal oxide nanoparticles (Fe, Ti, Ta, Hf) and can be genetically directed to the IONP surface. This work demonstrates the genetic control of IONP properties, but also highlights the robustness of the system, which complicates genetic engineering to produce radically different particles and structures.
Fast-Switching Electrochromic Li[sup +]-Doped NiO Films by Ultrasonic Spray Deposition (2010)

A low cost, high throughput deposition method for films of nickel oxide (NiO) and lithium-doped nickel oxide with improved electrochromic performance is demonstrated. This method is based on ultrasonic spray deposition of aqueous-based precursor solutions in air at atmospheric pressure, which represents a significant cost savings compared to vacuum deposition methods. The resultant materials are characterized by X-ray diffraction, Raman spectroscopy, electron microscopy, and electrochemical measurements. Electrochromic performance is demonstrated with in situ optical transmission measurements during electrochemical characterization. Nickel oxide materials color anodically and are thereby ideally suited to be used as counter electrode for the well-known tungsten oxide system in "smart" window applications. The coloration of nickel oxide materials is known to be slow when compared to and thereby limits the overall response time of a tandem device. The analysis of potential step response data shows that our lithium-doped nickel oxide material achieves 90% of its total coloration change in , which is comparable to reported measurements for . These results significantly mitigate a potential bottleneck to the adoption of metal oxide electrochromic windows not only by demonstrating similar performance between NiO and , but by achieving this result via low cost, highly scalable processing methods.
Factors Affecting Hemodialysis and Peritoneal Dialysis Efficiency (2006)

The peritoneal dialysis system has three major components: the peritoneal microcirculation, the peritoneal membrane, and the dialysate compartment. All these three that includes the composition of the solution and the modalities of delivery. All these three components may have an important impact on the final performance of the technique. As in the hemodialysis system, factors affecting diffusion of solutes as well as factors affecting convective transport may contribute to the final clearance of a given solute. Ultrafiltration responds to the same pressures applied to the extracorporeal dialysis system, but osmotic gradients represent by far the most important active component.
Total synthesis of dephostatin, a novel protein tyrosine phosphatase inhibitor (1994)

T. Watanabe, T. Takeuchi, M. Otsuka and K. Umezawa, J. Chem. Soc., Chem. Commun., 1994, 437 DOI: 10.1039/C39940000437
Photophysical processes in low‐fluence UV laser–material interaction and the relevance to atomic layer processing (1993)

Abstract Atomic‐scale material‐processing tools must be developed to allow the in situ synthesis of complex, nanometre‐scale, multilayer structures. These processing tools must be cost‐effective, extendible to large‐area surfaces and adaptable to realistic manufacturing equipment. Presented here are experimental results on the photophysical processes in low‐fluence UV laser radiation of surfaces. The results suggest that atomic‐level synthesis/modification of materials is possible by the laser‐induced desorption by electronic excitation (LIDEE) process. The processing action employs resonance behaviour to gain species selectivity in the products desorbed. It naturally lends itself to automation (pulsed processing) and is designed for manufacturing laser systems currently used in materials processing. In addition, no potential limitations exist on the surface area which can be processed. Presented are the experimental data using crystalline Al and Bi 2 Sr 2 Ca 1 Cu 2 O 8 targets along with supporting results from Ag and W targets. The results are interpreted in the light of photodesorption models which best support the data. As a conclusion we present an outline of how the LIDEE process might be used as a nanometre‐scale material‐processing tool.
<title>Digital-image-based finite element analysis for bone microstructure using conjugate gradient and Gaussian filter techniques</title> (1993)

Analyzing bone micromechanics has become increasingly necessary for understanding how bone structure is adapted in response to mechanical stimulus. The complex geometry of bone microstructure makes it difficult to use traditional finite element techniques for analysis. The use of finite element modeling procedure based on direct mesh generation from digital images using an Element-By-Element Preconditioned Conjugate Gradient solution technique for analyzing bone microstructure was presented. The results from digitized meshes were compared to smooth mesh results for microstructures of regular geometry to assess the digitized solutions. The digitized solutions were found to match the smooth mesh solutions well except near material boundaries where the digitized solutions exhibited numerical oscillations. A smoothing procedure utilizing Gaussian Filter techniques was investigated for smoothing solution oscillations, but results indicated that the filtering techniques did not significantly smooth the oscillation. In conclusion, digital image based finite element analysis will produce reasonably accurate estimates of stress and strain within microstructures but smoothing techniques for numerical oscillations at material boundaries need to be developed.
The patient's perception of a (reliable) change in the Multiple Sclerosis Functional C omposite (2004)

Our longitudinal data suggest that a reliable change is associated with a likewise change in patient perceived disability, the smallest reliable change being identified by at least 20% change in each MSFC component.
Implications of the Evolutionary Trajectory of Centromeres in the Fungal Kingdom (2020)

Chromosome segregation during the cell cycle is an evolutionarily conserved, fundamental biological process. Dynamic interaction between spindle microtubules and the kinetochore complex that assembles on centromere DNA is required for faithful chromosome segregation. The first artificial minichromosome was constructed by cloning the centromere DNA of the budding yeast <i>Saccharomyces cerevisiae</i>. Since then, centromeres have been identified in >60 fungal species. The DNA sequence and organization of the sequence elements are highly diverse across these fungal centromeres. In this article, we provide a comprehensive view of the evolution of fungal centromeres. Studies of this process facilitated the identification of factors influencing centromere specification, maintenance, and propagation through many generations. Additionally, we discuss the unique features and plasticity of centromeric chromatin and the involvement of centromeres in karyotype evolution. Finally, we discuss the implications of recurrent loss of RNA interference (RNAi) and/or heterochromatin components on the trajectory of the evolution of fungal centromeres and propose the centromere structure of the last common ancestor of three major fungal phyla-Ascomycota, Basidiomycota, and Mucoromycota.