gebhart/patrepeval huggingface dataset:
Multicomponent Host−Guest Chemistry of Carboxylic Acid and Phosphonic Acid Based Guests with Dendritic Hosts:  An NMR Study (2005)

A new way to analyze supramolecular dendritic architectures is reported by making use of (13)C NMR and (31)P NMR. Two ethylene glycol guest molecules have been synthesized containing a (13)C labeled carboxylic acid headgroup (2) and a phosphonic acid headgroup (3). The binding of these guests to urea-adamantyl modified poly(propylene imine) dendrimers has been investigated with (13)C NMR and (31)P NMR next to 1D and 2D (1)H NMR techniques. Different amounts of guest 2 have been added to fifth generation dendrimer 1e, and the observed chemical shift values in (13)C NMR were fitted to a model that assumes 1:1 binding between guest and binding site. An association constant of 400 +/- 95 M(-)(1) is obtained for guest 2 with 41 binding sites per dendrimer. When different amounts of phosphonic acid guest 3 are added to dendrimer 1e, two different signals are observed in (31)P NMR. Deconvolution gives the fractions of free and bound guest, resulting in an association constant of (4 +/- 3) x 10(4) M(-)(1) and 61 +/- 1 binding sites. A statistical analysis shows that guest 2 forms a "polydisperse supramolecular aggregate", while guest 3 is able to form a "monodisperse supramolecular aggregate" when the amount of guest is high enough. The NMR results are compared with dynamic light scattering experiments, and a remarkable agreement is found. Phosphonic acid guest 3 is able to exchange with guest 2, which is in agreement with the obtained association constants, and shows that these techniques can be used to analyze multicomponent dendritic aggregates.
Lipin1 is a key factor for the maturation and maintenance of adipocytes in the regulatory network with CCAAT/enhancer-binding protein alpha and peroxisome proliferator-activated receptor gamma 2. (2008)

Lipin1 expression was induced at a late stage of differentiation of 3T3-L1 preadipocytes and maintained at high levels in mature adipocytes. Knockdown of expression of lipin1 by small interfering RNA in 3T3-L1 preadipocytes almost completely inhibited differentiation into adipocytes, whereas overexpression of lipin1 accelerated adipocyte differentiation, demonstrating that lipin1 is required for adipocyte differentiation. In mature adipocytes, transfection of lipin1-small interfering RNA decreased the expression of adipocyte functional genes, indicating the involvement of lipin1 in the maintenance of adipocyte function. Lipin1 increases the transcription-activating function of peroxisome proliferator-activated receptor γ2 (PPARγ2) via direct physical interaction, whereas lipin1 did not affect the function of other adipocyte-related transcription factors such as C/EBPα, liver X-activated receptor α, or sterol regulatory element binding protein 1c. In mature adipocytes, lipin1 was specifically recruited to the PPARγ-response elements of the phosphoenolpyruvate carboxykinase gene, an adipocyte-specific gene. C/EBPα up-regulates lipin1 transcription by directly binding to the lipin1 promoter. Based on the existence of a positive feedback loop between C/EBPα and PPARγ2, we propose that lipin1 functions as an amplifier of the network between these factors, resulting in the maintenance of high levels of the specific gene expression that are required for adipogenesis and mature adipocyte functions.
Stabilizing hybrid perovskites against moisture and temperature via non-hydrolytic atomic layer deposited overlayers (2015)

Non-hydrolytic atomic layer deposited oxide overlayers fabricated directly on perovskites results in improved stability against moisture and temperature.
All-silicon integrated optical modulator for 1.3 μm fiber-optic interconnects (1989)

We report an all-silicon fiber-optic light modulator which relies on free-carrier optical dispersion and mode filtering in single-mode fibers. Greater than 10% peak-to-peak intensity modulation over a 200 MHz bandwidth for 10 mA rf current modulation at 1.3 μm wavelength is demonstrated.
Shifts in the Fecal Microbiota Associated with Adenomatous Polyps (2016)

This study suggests a plausible biological mechanism to explain the links between shifts in the microbiota and colorectal cancer. This represents a first step toward resolving the complex interactions that shape the adenoma-carcinoma sequence of colorectal cancer and may facilitate personalized therapeutics focused on the microbiota. Cancer Epidemiol Biomarkers Prev; 26(1); 85-94. ©2016 AACR.
Superior hemodynamics in left heart bypass without systemic heparinization (1990)

Open-chest left heart bypass was performed in 10 canine experiments (30 +/- 9 kg) by a servo controlled roller pump for 6 h at a pump flow of 50 ml/min per kg bodyweight. The surfaces of the tubing sets were either standard (with systemic heparinization) or with end-point attached heparin (no systemic heparin). Besides continuous monitoring of hemodynamics, a standard battery of blood samples was taken before bypass, after 10 min and every hour thereafter. There is no evidence of increased fibrin production in the group with end-point attached heparin surfaces perfused without systemic heparinization. Superior hemodynamics in left heart bypass performed without systemic heparinization appear to be due to improved hemostasis, reduced blood loss and therefore reduced transfusion requirements. Left heart bypass with heparin-coated equipment has been successfully used for resection of a thoracoabdominal aneurysm in six patients.
Experimental cryptosporidiosis in calves: clinical manifestations and pathological findings (1983)

Twenty-two calves between one and 20 days old were infected orally or by contact with cryptosporidia. Calves were maintained as either specific pathogen free, colostrum fed or sucking and were inoculated with either a bacteria free or a contaminated cryptosporidium preparation. Enteritis was characterised by depression, anorexia and diarrhoea and cryptosporidium oocysts were excreted during the clinical course of the illness. In the initial stages of the disease, cryptosporidium infestation was found throughout the small intestine; in the later stage the large intestine was also affected. Villous atrophy and fusion was present at small intestinal sites infected with cryptosporidia and lactase levels were depressed. No lesions were seen in infected large intestinal mucosa. Although the incubation period was longest (five to seven days) in calves infected by contact, there were few differences in the clinical course of disease or the pathological findings between any of the infected calves.
IoT based Ocean Acidification monitoring system with ML based Edge Analytics (2022)

Ocean Acidification (OA) is often referred to as “an evil twin of climate change”. Increased global atmospheric emission of CO <inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</inf> has increased its concentration in the ocean due to dissolution and absorption of atmospheric CO <inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</inf> , leading to ocean acidification. This further affects the coral reefs and other calcifiers such as Pteropods (marine snails), shellfish (clams, etc.), crustaceans (shrimp and lobsters), starfish, sea urchins, and their kin (echinoderms) and interferes with the marine food web and leads to food shortages thereby affecting the socio-economic lives of the people living in the coastal area. To quantify the above impacts and to study other biochemical variations in the ocean, it is necessary to monitor ocean acidification for a longer time period. Current methods for monitoring ocean acidification employ gliders, drifters, buoys, mooring, and periodic testing of samples collected during research voyages. These methods are often not cost-effective, time-efficient, requires a lot of manpower, and provides inferior spatio-temporal resolution. This research work analyzes the existing ocean acidification data collected from the ALOHA station at the North Pacific Ocean and propose a predictive model at the edge level by using Regression to reduce the effective cost of the IoT system. The proposed regression model is also used to design a novel IoT architecture for designing an energy-efficient, near real-time ocean acidification monitoring model. The proposed IoT hardware can be deployed by using buoys and fishing boats to further reduce the monitoring cost and increase the spatio-temporal resolution of the data compared to the existing monitoring systems.
Synthesis of 16 Quadrature Amplitude Modulation Using Polarization-Multiplexing QPSK Modulator (2011)

We propose a polarization-multiplexing QPSK modulator for synthesis of a 16 QAM signal. The generation mechanism of 16 QAM is based on an electro-optic vector digital-to-analog converter, which can generate optical multilevel signals from binary electric data sequences. A quad-parallel Mach-Zehnder modulator (QPMZM) used in our previous research requires precise control of electric signals or fabrication of a variable optical attenuator, which significantly raises the degree of difficulty to control electric signals or device fabrication. To overcome this difficulty, we developed the polarization-multiplexing QPSK modulator, which improved the method of superposition of QPSK signals. In the polarization-multiplexing QPSK modulator, two QPSK signals are output with orthogonal polarization and superposed through a polarizer. The amplitude ratio between the two QPSK signals can be precisely controlled by rotating the polarizer to arrange the 16 symbols equally. Generation of 16 QAM with 40Gb/s and a bit error rate of 5.69×10-5 was successfully demonstrated using the polarization-multiplexing QPSK modulator. This modulator has simpler configuration than the previous one, utilized a dual-polarization MZM, alleviating complicated control of electric signals.
Association of Microaneurysms on Adaptive Optics Scanning Laser Ophthalmoscopy With Surrounding Neuroretinal Pathology and Visual Function in Diabetes (2018)

AOSLO imaging demonstrates associations of hyperreflective MA walls with MA size and adjacent DRIL, as well as the presence of DRIL with lower VA. This study identifies a correlation between vascular and neural pathology associated with VA decline. Further studies of MA structure and neuroretinal disorganization may enable novel approaches to assess anatomic and functional outcomes in the diabetic eye.
Growth of undoped polycrystalline Si by an ultrahigh vacuum chemical vapor deposition system (1993)

Deposition of undoped polycrystalline-silicon (poly-Si) films on SiO2 using an ultrahigh vacuum chemical vapor deposition system was investigated. Poly-Si films with high crystallinity were obtained at a temperature as low as 525 °C. The layer growth process was found to proceed with an activation energy of 44±2 kcal/mol, and is dominated by the desorption rate of surface-bonded hydrogen atoms. An incubation time was observed prior to the film deposition. This incubation period increased with decreasing growth temperature, resulting from slower nucleation and growth rates at lower temperatures.
Carbon-fiber-wrapped synchronous reluctance traction motor (2017)

Synchronous reluctance machines are very appealing for high speed traction applications due to their robustness, simple structure, absence of magnets, and simple control. The absence of magnets means that synchronous reluctance machines are not susceptible to price variability and sustainability of rare-earth materials. Also, there are no concerns about demagnetization or uncontrolled generation mode. However, the challenge of achieving a good constant power to speed ratio is dependent on the mechanical aspects of the design. Conventional synchronous reluctance designs perform poorly compared to permanent magnet machines due the presence of bridges and/or center posts that provide a path for performance-robbing leakage flux. Elimination or reduction of these features presents a challenge for rotor mechanical retention due to the reduction in radial stiffness that these members provide. A carbon-fiber sleeve on the rotor will provide the needed mechanical strength to enable a reduction of bridges and/or center posts. This paper will present the design details, analysis, manufacturing and test results of a proof-of-concept carbon-fiber-wrapped synchronous reluctance machine targeting traction applications.
ChemInform Abstract: Gold and Platinum Catalysis — A Convenient Tool for Generating Molecular Complexity (2010)

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.
Borate Glasses and Their Response to Temperature and Pressure: Invited Talk (2019)

ICG-SI-082-2019
Les incidences sur la santé animale : l'exemple de la fièvre catarrhale du mouton (2002)

La fièvre catarrhaie est une maladie virale qui affecte cliniquement les ovins. Le vecteur principal, Culicoïdes imicola, est un insecte tropical dont la répartition géographique n'était jusqu'à présent que rarement signalée au nord du 40ème degré de latitude Nord. Son développement est étroitement dépendant des conditions climatiques. La maladie s'est étendue, depuis deux ans, à plusieurs pays du bassin méditerranéen, dont la France (Corse). Les modèles prédictifs montrent qu'une augmentation de la température impliquerait une progression inévitable de la population de culicoïdes, soumettant une plus grande population animale au risque de contamination et de pérennisation de l'infection.
Real Time MRI Motion Correction with Markerless Tracking (2017)

Prospective motion correction for MRI neuroimaging has been demonstrated using MR navigators and external tracking systems using markers. The drawbacks of these two motion estimation methods include prolonged scan time plus lack of compatibility with all image acquisitions, and difficulties validating marker attachment resulting in uncertain estimation of the brain motion respectively. We have developed a markerless tracking system, and in this work we demonstrate the use of our system for prospective motion correction, and show that despite being computationally demanding, markerless tracking can be implemented for real time motion correction.
Screening for biologically active metabolites with endosymbiotic bacilli isolated from arthropods (2002)

Endosymbiotic bacteria from the genus Bacillus were isolated from different compartments of the gut of various members of insects (Hexapoda) and millipedes (Diplopoda). They were grown in submerged culture and investigated by biological assays and HPLC-diode array analysis regarding their production of bioactive metabolites, which were isolated and determined in structure. Known compounds and yet unknown derivatives from the primary metabolism were detected, as well as antibacterially and antifungally acting peptide antibiotics.
(Invited) ALD Grown Functional Oxide Layers for Nonvolatile Resistive Switching Memory Applications (2013)

The significance of atomic layer deposition (ALD) for the growth of transition metal oxide thin films which are to be integrated into metal-oxide-metal structures for future nonvolatile resistive switching memory devices is illustrated. Focus is put to the requirements on transition metal oxide layers with respect to the control of morphology, structure, and defect state. For the representative example of ALD TiO2-x thin films grown from different titanium sources possibilities for a design of thin film properties by means of precise process control are exemplified. The success of this strategy is highlighted by the resistive switching behavior of 8 nm ALD TiO2-x thin films integrated into Pt/ TiO2-x/Ti/Pt cross point junctions of 100 nm x 100 nm lateral size by which it could be demonstrated that a stable SET operation in TiO2 films is possible for compliance currents of about 20 µA.
A Tandem Approach to Graft and Dendritic Graft Copolymers Based on “Living” Free Radical Polymerizations (1997)

Owing to their inherent differences, consecutive “living” free radical polymerizations can yield graft and dendritic graft (dendrigraft) copolymers with multiple chain-end functionalities such as that shown schematically on the right (PS = polystyrene), PBMA = poly(n-butyl methylmethacrylate). The first polymerization leads to the linear backbone, and subsequent polymerizations introduce grafted chains.
Structure, Mechanism and Engineering of Polyketide Synthases (2006)

Polyketide synthases are a large family of modular megasynthases responsible for the biosynthesis of numerous antibiotics and related pharmacologically active natural products. Over the past decade a variety of studies have demonstrated the feasibility of reprogramming polyketide synthase chemistry by genetic and chemobiosynthetic manipulation. To date most of these efforts have been guided by primary amino acid sequence analysisof polyketide synthases. The growing body of structural data on these enzymes facilitates fundamentally new approaches for biosynthetic engineering. Recent examples of such efforts from the author's laboratory will bepresented.
Dynamic Characterization of Materials (2008)

Slides presented at the 3nd Annual Photonic Doppler Velocimetry (PDV) Conference and Workshop held at Sandia National Laboratories, Albuquerque, New Mexico, September 3-4, 2008.
Band alignment at memristive metal-oxide interfaces investigated by hard x-ray photoemission spectroscopy (2014)

Nonvolatile memory elements, known as memristors, have recently received an attention boost by introducing transition-metal oxide /transition-metal bilayer structures. These structures enable the engineering of the electrical properties of the devices and the removal of unwanted forming steps though a redox-reaction at the interface. This work provides much needed information for the understanding of memristive behavior in such devices by providing the first systematic study of the electronic band alignment at the interface, which plays essential role in charge carrier transport.
Solvent mediated self-assembly of solids (1997)

Solvent-mediated crystallization represents a robust approach to self-assembly of nanostructures and microstructures. In organic systems, the relative ease with which the structure of hydrogen- bonded molecules can be manipulated allows for generation of a wide variety of nanoscale crystal structures. In living organisms, control over the micron-to-millimeter form of inorganic crystals is achieved through introduction of bio-organic molecules. The purpose of this proposal is to understand the interplay between solution chemistry, molecular structure, surface chemistry, and the processes of nucleation and crystal growth in solvent-mediated systems, with the goal of developing the atomic and molecular basis of a solvent-mediated self-assembly technology. We will achieve this purpose by: (1) utilizing an atomic force microscopy (AFM) approach that provides in situ, real time imaging during growth from solutions, (2) by modifying kinetic Monte Carlo (KMC) models to include solution-surface kinetics, (3) by introducing quantum chemistry (QC) calculations of the potentials of the relevant chemical species and the near-surface structure of the solution, and (4) by utilizing molecular dynamics (MD) simulations to identify the minimum energy pathways to the solid state. Our work will focus on two systems chosen to address both the manometer and micron-to-millimeter length scales of assembly, the family of 2,5- diketopiperazines (X-DKPs) and the system of CaCO{sub 3} with amino acids. Using AFM, we will record the evolution of surface morphology, critical lengths, step speeds, and step-step interactions as a function of supersaturation and temperature. In the case of the X-DKPs, these measurements will be repeated as the molecular structure of the growth unit is varied. In the case of CaCO{sub 3}, they will be performed as a function of solution chemistry including pH, ionic strength, and amino acid content. In addition, we will measure nucleation rates and orientations of CaCO{sub 3} on polyamino acid templates. From these measurements, we will extract fundamental growth parameters for input into KMC simulations whose predictions will in turn be compared to the experimental observations. The KMC simulations will incorporate atomic processes representing the minimum energy pathways as determined from the MD calculations. The interaction potentials of the relevant chemical species as well as the hydrated surface, including the electrochemical double layer, used in the MD simulations will be determined using coupled solutions to the Schrodinger and Poisson-Boltzmann equations which take account of electronic relaxation effects.
Chemoenzymatic preparation of the novel antifolate thymidylate synthase inhibitor N-(4-{N-[(6S )-2-methyl-4-oxo-3,4,7,8-tetrahydro-6H-cyclopenta[g]quinazolin-6-yl]-N-(prop-2-ynyl)amino}benzoyl)-L-glutamic acid and its glutamyl cleavage product (1999)

5-Aminoindane was converted in six steps to the cyclopenta[g]quinazoline ketone 13. Condensation of 13 with diethyl 4-aminobenzoyl-L-glutamate, followed by in situ reduction, produced the secondary amine 15. N-Propargylation of 15, followed by deprotection, gave the diacid 17 as a mixture of diastereoisomers. Treatment of 17 with the bacterial enzyme carboxypeptidase G2 resulted in removal of the L-glutamic acid residue from (6R)-17 to give a chromatographically separable mixture of the monoacid 18 and the antifolate 5 [(6S)-17], which was assayed as an inhibitor of thymidylate synthase (Kiapp = 3 nM). Treatment of isolated diacid 5 with carboxypeptidase G2 produced the monoacid 19 in ca. 98% enantiomeric excess. The (6S) stereochemistry of compound 19 has been established by X-ray crystal structure determination of the amide derivative 24.
SWIR dispersive Raman spectroscopy for discrimination of normal and malignant kidney tissue (Conference Presentation) (2017)

Kidney cancer affects 65,000 new patients every. As computerized tomography became ubiquitous, the number of small, incidentally detected renal masses increased. About 6,000 benign cases are misclassified radiographically as malignant and removed surgically. Raman spectroscopy (RS) has been widely demonstrated for disease discrimination, however intense near-infrared auto-fluorescence of certain tissues (e.g kidney) can present serious challenges to bulk tissue diagnosis. A 1064nm excitation dispersive detection RS system demonstrated the ability to collect spectra with superior quality in tissues with strong auto-fluorescence. Our objective is to develop a 1064 nm dispersive detection RS system capable of differentiating normal and malignant renal tissue. We will report on the design and development of a clinical system for use in nephron sparing surgeries. We will present pilot data that has been collected from normal and malignant ex vivo kidney specimens using a benchtop RS system. A total of 93 measurements were collected from 12 specimens (6 Renal Cell Carcinoma, 6 Normal ). Spectral classification was performed using sparse multinomial logistic regression (SMLR). Correct classification by SMLR was obtained in 78% of the trials with sensitivity and specificity of 82% and 75% respectively. We will present the association of spectral features with biological indicators of healthy and diseased kidney tissue. Our findings indicate that 1064nm RS is a promising technique for differentiation of normal and malignant renal tissue. This indicates the potential for accurately separating healthy and cancerous tissues and suggests implications for utilizing RS for optical biopsy and surgical guidance in nephron sparing surgery.