gebhart/patrepeval huggingface dataset:
QUESP and QUEST revisited: a more complete theory for quantification of chemical exchange saturation transfer experiments (2017)

Purpose/Introduction: Chemical exchange saturation transfer (CEST) MRI allows not only detection of low concentrated molecules, but also quantification of their exchange rates. We found out that the published quantitative description of CEST has some missing terms (1). We could identifiy these terms which allo to have accurate quatitification not only in steady-state, but also in transient state with arbitrary initial condition. This improves CEST quatitification in accuracy but also in design of speed-up experiments. Subjects and Methods: Solving the Bloch-McConnell equation (2) in eigenspace yields the follwing equations. Using the labeling efficiency alpha = w1 2 /(w1 2 +kb 2 ) the original formula for MTRasym (1) MTRasym ¼ fb kb alpha=ðR1a þfb kbÞ1eðR1aþfb kbÞtp ½1; original is extended by two additional missing appearances of alpha to MTRasym ¼ fb kb alpha=ðR1a þalpha fbkbÞ1eðR1aþalphafb kbÞtp and for the case of arbitrary initial magnetization Zi = Mi/M0 MTRasym ¼ fb kb alpha=ðR1a þ alpha fbkbÞ þ ðZi 1ÞeR1atp ðZi R1a=ðR1a þ alpha fbkbÞeðR1aþalphafb kbÞ tp½2; revised The proposed methodology was evaluated on the large-shift regime of paramagnetic CEST (paraCEST) agents using simulated Bloch-McConnell data (3) and experimental data of the paramagnetic Eu(III) complex of DOTA-tetraglycineamide (4) measured at a 7T NMR spectrometer. Results: The improved analytical QUESP/QUEST equations allow for more accurate exchange rate determination, also providing clear insights on the general principles to execute the experiments and to perform numerical evaluation. The proposed QUESP methodology was evaluated on the large-shift regime of paramagnetic CEST (paraCEST) agents using simulated data (Figure 1) and experimental data of the paramagnetic Eu(III) complex of DOTA-tetraglycineamide (Figure 2), when compared to full BM fits, the refined QUESP formulae showed improved exchange rate estimation, and this in the speed-up experiment case of only 1 s relaxation and 3 s of saturation. Discussion/Conclusion: In addition to completing the theory by missing labeling factors, we were able to accurately estimate exchange rates and extend the analytic models for the case of arbitrary initial magnetization and subsequently non-steady-state saturation. By completing the quantitative description, we could show a methodology that allows for more freedom in choosing the appropriate quantitative CEST experiments, and also to speed up the quantitative experiments without biasing the final results. This new theory needs to be spread among CEST experimentalists as quantitative evaluations in use can lead to inaccurate results.
Mutations in the M-Gene Segment Can Substantially Increase Replication Efficiency of NS1 Deletion Influenza A Virus in MDCK Cells (2012)

Influenza viruses unable to express NS1 protein (delNS1) replicate poorly and induce large amounts of interferon (IFN). They are therefore considered candidate viruses for live-attenuated influenza vaccines. Their attenuated replication is generally assumed to result from the inability to counter the antiviral host response, as delNS1 viruses replicate efficiently in Vero cells, which lack IFN expression. In this study, delNS1 virus was parallel passaged on IFN-competent MDCK cells, which resulted in two strains that were able to replicate to high virus titers in MDCK cells due to adaptive mutations especially in the M-gene segment but also in the NP and NS gene segments. Most notable were clustered U-to-C mutations in the M segment of both strains and clustered A-to-G mutations in the NS segment of one strain, which presumably resulted from host cell-mediated RNA editing. The M segment mutations in both strains changed the ratio of M1 to M2 expression, probably by affecting splicing efficiency. In one virus, 2 amino acid substitutions in M1 additionally enhanced virus replication, possibly through changes in the M1 distribution between the nucleus and the cytoplasm. Both adapted viruses induced levels of IFN equal to that of the original delNS1 virus. These results show that the increased replication of the adapted viruses is not primarily due to altered IFN induction but rather is related to changes in M1 expression or localization. The mutations identified in this paper may be used to enhance delNS1 virus replication for vaccine production.
Three-dimensional mesostructures as high-temperature growth templates, electronic cellular scaffolds, and self-propelled microrobots (2017)

Recent work demonstrates that processes of stress release in prestrained elastomeric substrates can guide the assembly of sophisticated 3D micro/nanostructures in advanced materials. Reported application examples include soft electronic components, tunable electromagnetic and optical devices, vibrational metrology platforms, and other unusual technologies, each enabled by uniquely engineered 3D architectures. A significant disadvantage of these systems is that the elastomeric substrates, while essential to the assembly process, can impose significant engineering constraints in terms of operating temperatures and levels of dimensional stability; they also prevent the realization of 3D structures in freestanding forms. Here, we introduce concepts in interfacial photopolymerization, nonlinear mechanics, and physical transfer that bypass these limitations. The results enable 3D mesostructures in fully or partially freestanding forms, with additional capabilities in integration onto nearly any class of substrate, from planar, hard inorganic materials to textured, soft biological tissues, all via mechanisms quantitatively described by theoretical modeling. Illustrations of these ideas include their use in 3D structures as frameworks for templated growth of organized lamellae from AgCl-KCl eutectics and of atomic layers of WSe<sub>2</sub> from vapor-phase precursors, as open-architecture electronic scaffolds for formation of dorsal root ganglion (DRG) neural networks, and as catalyst supports for propulsive systems in 3D microswimmers with geometrically controlled dynamics. Taken together, these methodologies establish a set of enabling options in 3D micro/nanomanufacturing that lie outside of the scope of existing alternatives.
Fibrocytes Contribute to Inflammation and Fibrosis in Chronic Hypersensitivity Pneumonitis through Paracrine Effects (2014)

These findings demonstrate that high levels of fibrocytes are present in the peripheral blood of patients with chronic HP and that these cells infiltrate the HP lungs. Fibrocytes may participate in the pathogenesis of HP, amplifying the inflammatory and fibrotic response by paracrine signaling inducing the secretion of a variety of proinflammatory and profibrotic molecules.
Secondary Emission in NaNO2under Selective Excitation: Dispersion and Relaxation of ν00Exciton (1987)

Spectral and transient behavior of secondary emission in NaNO 2 has been studied under the selective excitation with frequency ν i in the region of the phonon sideband of the zero-phonon line at ν 00 in the absorption spectrum. The emission line becomes broader and stronger as ν i shifts from ν 00 toward higher energy, and it splits into two or more-components when ν i falls into valley regions of the phonon sideband. The maximum separation of the split components amounts to about 5 cm -1 . The decay time of the emission is almost constant and about 7 ns for the change in ν i . These results suggest that ν 00 excitons are created in some limited regions of the exciton band in the Brillouin zone by the phonon-assisted optical transition, and that radiative annihilation of the exciton occurs before thermalization of the exciton is established.
ChemInform Abstract: Transition‐Metal Complexes of Superstructured Cyclidene Macrobicycles: Structural Features and Their Chemical Consequences. Part 1. Complexes of the Unbridged Cyclidene Ligands and of Precursor Ligands. (1987)

Abstract The structures of the unbridged cyclidene complexes (Ia) (space group P1, Z=2), (Ib) (Pnma, Z=4), (Ic) (P1, Z=2), (Id) ( P2 1 /n, Z=2), (II) (Pbcm, Z=4), (IIIa) (P21/m, Z=2), and (IIIb) (P1, Z=2) are determined by X‐ray analysis and discussed considering chemical consequences.
ChemInform Abstract: Chemistry and Molecular Biology of Transmissible Spongiform Encephalopathies (1997)

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.
Linearly condensed peri-hydroxy aromatic compounds derived from the cycloaddition reaction of homophthalic anhydrides with dienophiles. (1983)

Thermal treatment of homophthalic anhydrides (1 and 2) with various dienophiles (3-12) caused cycloaddition with spontaneous extrusion of carbon dioxide to give the corresponding linearly condensed peri-hydroxy aromatic compounds (13-23) in considerable yields. A possible mechanism for these reactions is proposed.
Haloperoxidase Mimicry by CeO2−x Nanorods Combats Biofouling (2016)

CeO<sub>2-</sub><sub>x</sub> nanorods are functional mimics of natural haloperoxidases. They catalyze the oxidative bromination of phenol red to bromophenol blue and of natural signaling molecules involved in bacterial quorum sensing. Laboratory and field tests with paint formulations containing 2 wt% of CeO<sub>2-</sub><sub>x</sub> nanorods show a reduction in biofouling comparable to Cu<sub>2</sub> O, the most typical biocidal pigment.
Acinar Cell Carcinoma of the Pancreas: Clinical and Cytomorphologic Characteristics (2013)

Acinar cell carcinoma is a rare malignant epithelial neoplasm with predominantly exocrine acinar differentiation and is seen primarily in older men (mean age, 62 years). The presenting symptoms are usually non-specific, and jaundice is often not present. Symptoms relating to the overproduction and release of lipase into the circulation are present in 10-15% of patients. Characteristic cytomorphologic features include a population of cells with minimal pleomorphism, eccentrically placed nuclei with a single prominent nucleoli and moderate hyperchromasia. The cytoplasm is finely granular, and the background may contain granular debris secondary to cytolysis. A significant proportion of the cases also have a minor neuroendocrine component or scattered neuroendocrine cells. Approximately 50% of patients have metastatic disease at presentation, often restricted to the regional lymph nodes and liver. The prognosis is poor, only slightly better than that of pancreatic ductal adenocarcinoma.
Modeling of Shale-Swelling Behavior in Aqueous Drilling Fluids (2013)

Abstract Shale swelling is a serious issue in water-based muds (WBM) as it may lead to stuck pipe, shale sloughing and decreased rate of penetration. Linear Swell Meter (LSM) testing is one of well-known laboratory tests used to characterize shale swelling. This paper describes how the time-dependent swelling response from LSM is modeled to extract characteristic parameters of swelling behavior. The study was performed for different shales with appreciable variation in smectite, illite and Cation Exchange Capacity (CEC). Swelling of these shales in WBM was investigated using different salt concentrations, mud weights and viscosities of the fluids. Shale swelling as a function of time was modeled in a novel way as %S(t) = A *[f(B*t)+C*g(t)] where %S(t) represents swelling at time t. The equation was derived after combining first order kinetics term as f(B*t) with filtration loss term based as C*g(t). Thus, A represents saturation swelling volume, B represents first-order rate of swelling and C is filtrate loss rate parameter. The model fits well to experimental data with R2 &amp;gt; 0.97 for all shale-fluid combinations investigated which was used to extract the characteristic parameters. Saturation swelling volume, A, increased with an increase in CEC of the shale. In addition, A decreased linearly till a critical salt concentration in fluid was reached and then flattened out with further increase in salt concentration. Such behavior conforms to osmotic transport of water through shale. It was observed that A was independent of mud weight and fluid viscosity; however B was observed to increase with a decrease in viscosity which may be interpreted as result of diffusion phenomena governing swelling rate. Filtrate loss rate parameter C was estimated to be between 0 and 1 in most of shale-fluid combinations studied. Information obtained from parameters A, B and C can allow us to optimize WBM formulations for shale that can save cost and time.
Efficacy and tolerability of lenalidomide (LEN) in patients (pts) 75 and older versus those younger than 75 with RBC transfusion-dependent low/int-1-risk MDS and del 5q. (2012)

6522 Background: LEN is the approved treatment for pts with RBC transfusion-dependent Low/Int-1-risk MDS and del 5q. In 2 multicenter trials (MDS-003/-004) LEN lead to RBC transfusion independence (TI) for ≥ 26 wks in 35–58% of pts and cytogenetic response (CyR) in 25–73%. Most common grade (G) 3–4 adverse events (AE) were neutropenia and thrombocytopenia, a safety concern in elderly pts. We evaluated efficacy and tolerability of LEN in pts ≥ 75 y vs &lt; 75 y in MDS-003/-004 trials. Methods: Pts received LEN 5 mg × 28 d, 10 mg × 21 d, or 10 mg × 28 d (all 28 d cycles). Dose reductions were required for G4 neutropenia (both trials) and platelet counts &lt; 30 x 10 9 /L (MDS-003) or &lt; 25 x 10 9 /L (MDS-004). Results: 32% of the 286 pts were ≥ 75 y. Baseline (BL) characteristics, LEN treatment, and optional G-CSF use are shown in Table. In pts ≥ 75 y vs &lt; 75 y: RBC-TI ≥ 26 wks was 39 vs 47% (P = NS); CyR was 64 vs 54% (P = NS); 2-y AML progression rates were 10 vs 19% (P = NS); 2-y overall survival rates were 62 vs 73% (P = .001); G3–4 AE: neutropenia (63 vs 76%; P = .024), thrombocytopenia (56 vs 49%; P = NS), infection (36 vs 20%; P = .003); median time to recovery to ANC &gt; 1 x 10 9 /L was 0.7 vs 0.7 mo (P = NS) and to platelet counts &gt; 100 x 10 9 /L was 3.3 vs 1.7 mo (P = NS). 59% pts ≥ 75 y and 49% pts &lt; 75 y discontinued LEN due to AE (33 vs 26%; P = NS), lack of effect (32 vs 49%; P = NS), or death (15 vs 6%; P = NS). Dose reduction and discontinuation rates are shown in Table. Conclusions: Pts ≥ 75 y and &lt; 75 y had comparable response and AML progression rates. In pts ≥ 75 y, LEN appears to be well tolerated but the higher infection rate justifies close follow-up. [Table: see text]
System and method for injecting fuel (2023)

According to various embodiments, a system includes a staggered multi-nozzle assembly. The staggered multi-nozzle assembly includes a first fuel nozzle having a first axis and a first flow path extending to a first downstream end portion, wherein the first fuel nozzle has a first non-circular perimeter at the first downstream end portion. The staggered multi-nozzle assembly also includes a second fuel nozzle having a second axis and a second flow path extending to a second downstream end portion, wherein the first and second downstream end portions are axially offset from one another relative to the first and second axes. The staggered multi-nozzle assembly further includes a cap member disposed circumferentially about at least the first and second fuel nozzles to assemble the staggered multi-nozzle assembly.
Infrared absorbing nanoparticle impregnated self-heating fabrics for significantly improved moisture management under ambient conditions (2021)

Propensity of a textile material to evaporate moisture from its surface, commonly referred to as the 'moisture management' ability, is an important characteristic that dictates the applicability of a given textile material in the activewear garment industry. Here, an infrared absorbing nanoparticle impregnated self-heating (IRANISH) fabric is developed by impregnating tin-doped indium oxide (ITO) nanoparticles into a polyester fabric through a facile high-pressure dyeing approach. It is observed that under simulated solar radiation, the impregnated ITO nanoparticles can absorb IR radiation, which is effectively transferred as thermal energy to any moisture present on the fabric. This transfer of thermal energy facilitates the enhanced evaporation of moisture from the IRANISH fabric surface and as per experimental findings, a 54 ± 9% increase in the intrinsic drying rate is observed for IRANISH fabrics compared with control polyester fabrics that are treated under identical conditions, but in the absence of nanoparticles. Approach developed here for improved moisture management via the incorporation of IR absorbing nanomaterials into a textile material is novel, facile, efficient and applicable at any stage of garment manufacture. Hence, it allows us to effectively overcome the limitations faced by existing yarn-level and structural strategies for improved moisture management.
Manipulation of Massive Objects in Space Using Flexible Joint Manipulators (2021)

Robotic manipulators used in space applications are often lightweight, exhibit significant joint flexibility, and have limited joint torques. Many applications of space manipulation involve the transport of massive objects, e.g., a captured satellite, well beyond the 1 g capability of these robots. This may cause challenges during manipulation, such as imprecise trajectory following during transport, oscillatory behavior, and difficulty berthing the object. Motivated by the space application, a fixed-base scenario is considered, and a methodology is proposed for massive object manipulation via flexible-joint manipulators in this Paper. The manipulation task includes the following phases: tracking and capture, path and trajectory planning, trajectory execution, and berthing. Visual servoing and compliance control are used to track and capture the object. Motion planning accounts for kinematic and dynamic constraints on joint stops, path smoothness, actuator limits, end effector slippage, and braking distance. Berthing is achieved through the use of compliance control. The efficacy of this methodology is experimentally investigated with a flexible-joint Rethink Baxter robot arm, and each manipulation phase is completed with a heavy load beyond the 1 g limit of the arm on an air bearing table.
Selective Amination of Polyhalopyridines Catalyzed by a Palladium—Xantphos Complex. (2004)

Abstract For Abstract see ChemInform Abstract in Full Text.
Molybdenum and Tungsten Alkylidene Complexes That Contain a 2-Pyridyl-Substituted Phenoxide Ligand (2016)

In the interest of preparing molybdenum and tungsten alkylidene complexes for olefin metathesis that are longer-lived at high temperatures (∼150 °C or above), we synthesized complexes that contain a phenoxide ligand with a 2-pyridyl in one ortho position and a mesityl (Mes) or 2,4,6-i-Pr3C6H2 (Trip) in the other ortho position ([MesON]− or [TripON]−, respectively). The alkylidene (neophylidene) complexes that were prepared include W(O)(CHCMe2Ph)(Me2Pyr)(RON) (R = Mes or Trip), Mo(NC6F5)(CHCMe2Ph)(RON)Cl, Mo(N-2,6-Me2C6H3)(CHCMe2Ph)(RON)Cl, Mo(N-t-Bu)(CHCMe2Ph)(RON)Cl, and M(N-2,6-i-Pr2C6H3)(CHCMe2Ph)(TripON)(OTf) (M = Mo or W). The reaction between Mo(NAr)(CHCMe2Ph)(TripON)(OTf) and ethylene yielded an ethylene complex, Mo(NAr)(C2H4)(TripON)(OTf)(ether). All neophylidene complexes were essentially unreactive toward terminal olefins at 22 °C and showed modest homocoupling activity (at 80 or 100 °C) and alkane metathesis activity (at 150 and 200 °C). W(O)(CHCMe2Ph)(Me2Pyr)(MesON) also stereoselectively polymerized several substituted norbornadienes at 100 °C.
An Extremely Sensitivein VitroModel for Elucidating Structure-Activity Relationships of Growth Hormone-Releasing Factor Analogs* (1985)

An improved rat anterior pituitary primary cell culture technique for studying GH-releasing activity of human pancreatic GH-releasing factor (hpGRF) and its analogs is described. Male pituitaries, dispersed by a combination of trypsin digestion and mechanical agitation, were plated at a density of 200,000 cells per well and cultured for 4 days. The attached cells were then stimulated with synthetic hpGRF which was comprised of the first 29 residues of the larger, originally isolated forms and which was amidated at the C-terminal (hpGRF-29). Analogs of hpGRF-29 which were modified in positions 1, 2, 3, or 7, and other secretagogues were similarly tested. Medium was collected after 3 h, and secreted hormone was measured by RIA. The cells were extremely sensitive to hpGRF-29 stimulation, and this effect was specific. The minimal effective dose of hpGRF-29 was an unprecedented 0.4 X 10(-15)M. No stimulation of LH, FSH, or PRL by hpGRF-29 was observed. Bombesin and vasoactive intestinal peptide were ineffective in stimulating GH release. [D-Trp6]LHRH (a potent LHRH agonist), also did not release GH but did stimulate secretion of LH and FSH at doses ranging from 0.4 X 10(-10)M to 1.0 X 10(-9)M. Responses of the cells to hpGRF-29 analogs were characterized by distinct heterologous dose-response curves. [D-Ala2]hpGRF-29 was 50 times more active than its parent 29-amino-acid peptide. [D-Thr7]hpGRF-29, another analog that differed from hpGRF-29 by the insertion of a D-isomer for the naturally occurring L-residue, was about 10,000 times less effective in stimulating GH secretion than was hpGRF-29 itself. Potencies of these and other analogs with respect to GH release in vitro were similar to those estimated in vivo. Thus, this primary cell culture provides an extremely sensitive, selective, and reproducible system for studying hpGRF structure-activity relationships. Further, such tremendous sensitivity to hpGRF can provide a system to study changes in pituitary sensitivity to hpGRF during different physiological states.
Stereochemistry of phosphoryl transfer (1981)

A general method has been developed for the synthesis of chiral [16O,17O,18O]phosphate monoesters of known absolute configuration. An analytic method for determining the absolute configuration of chiral phosphate esters has also been developed, which is based on the isotope effects of 17O and 18O at phosphorus in the 31P nuclear magnetic resonance spectrum. These methods have shown that phosphoryl transfer catalysed by hexokinase, phosphofructokinase and pyruvate kinase occurs with inversion of configuration. This is most simply interpreted as an "in-line' transfer of the phosphoryl group between substrates in the enzyme-substrate ternary complex.
Conjugation of DNA to Silanized Colloidal Semiconductor Nanocrystalline Quantum Dots (2002)

Water-soluble, highly fluorescent, silanized semiconductor nanocrystals with different surface charges were synthesized. To covalently attach the nanocrystals to biological macromolecules with a variety of mild coupling chemistries, the outermost siloxane shells were derivatized with thiol, amino, or carboxyl functional groups. Single- or double-stranded DNA was coupled to the nanocrystal surfaces by using commercially available bifunctional cross-linker. Conjugation had little effect on the optical properties of the nanocrystals, and the resulting conjugates were more stable than previously reported systems. By using the strategies developed in this study, most biomolecules can be covalently coupled to semiconductor nanocrystals. These nanocrystal-DNA conjugates promise to be a versatile tool for fluorescence imaging and probing of biological systems.