gebhart/patrepeval huggingface dataset:
The Compleat Coordination Chemistry (1994)

Alfred Werner's coordination chemistry was remarkably broad, effectively encompassing most of the molecularly discrete compounds of the metallic elements, and the field has expanded enormously during its century-long rule. Today coordination chemistry is recognized to involve all manner of interactions between separately recognizable atomic and moelcular entities, of all possible charge variations. The coordination entity persists as the unifying concept, and the principles of the field are perceived as underlying much of the mutual organizing that occurs between unlike and even like molecular and atomic species. The common structural principles of molecular organization underlie all of those interactions that lead to the formation of a coordination entity in the various realms of receptor/receptee combinations, be it metal ion/ligand, host/guest, or intermolecular hydrogen bonding and/or stacking. Complementarity and constraint are key considerations, and their interplay is of major concern in molecular design. The presence within a molecule of multiple receptors of varied kinds has opened new vistas for chemical research and new promises for technology.
Towards Large-scale Silicon Photonics Integration (2013)

We present on the development of a 300mm silicon photonics platform incorporating multilevel copper interconnects, vertical junction modulators, germanium detectors, and silicon nitride layers. Within this platform, we demonstrate large-scale silicon photonic circuits.
Integrated catalyst-electrodes for the production of solar fuels (2015)

Immobilization of selective catalysts for fuel- forming reactions on (photo) electrode surfaces is an appealing route to structures&#13;\nfor the generation of renewable fuel. Our recent work has focused on immobilization of mol. catalysts on graphitic carbon&#13;\nelectrode surfaces via noncovalent interactions. The general approach relies on a pyrene- appended bipyridyl ligand (P) that&#13;\nserves as the linker between the catalysts and the surface. With this method, proton redn. to dihydrogen was catalyzed with an&#13;\nimmobilized rhodium complex, [Cp*Rh(P) Cl] Cl, and CO_2 redn. to CO was catalyzed with a rhenium complex, Re(P) (CO)_3Cl.&#13;\nSpectroscopic studies of the [Cp*Rh] - and [Re(CO)_3] - functionalized electrodes are providing new insights into the activity of&#13;\nthese assemblies. Catalysis continues over the timescale of hours, and in the case of hydrogen evolution, with estd. turnover&#13;\nfrequency near 1 per s. We are also now extending work to earth- abundant systems, and have prepd. Mn(P) (CO)_3Br as a&#13;\ncandidate CO_2 - redn. catalyst. Immobilization results in electroactive material, and electrocatalytic CO prodn. has been&#13;\nmeasured. Recent results will be presented, including spectroscopic characterization, electrochem. stability, and electrocatalytic&#13;\nCO_2 redn. with these catalysts.
Outcomes of Branch Pulmonary Artery Stenosis in Williams Syndrome and Non-Williams Supravalvar Aortic Stenosis (2021)

Background  The cardiovascular findings noted in both Williams syndrome (WS) and non-Williams (NW) supravalvar aortic stenosis (SVAS) are most often mediated by abnormal or deficient elastin (ELN). Branch pulmonary artery stenosis (BPAS) is the next most common lesion after SVAS. The prevalence, interventions for, and outcomes of BPAS in WS and NW SVAS has not been well-described. Aim Describe and compare BPAS intervention and outcomes in patients with WS and NW SVAS.   Subjects and Methods  We included  all  patients at our institution  with either WS or SVAS with negative testing for WS from 2003-2020.Patients with Alagille syndrome, Turner …
Configurable 3D Printed Microfluidic Multiport Valves with Axial Compression (2021)

In the last decade, the fabrication of microfluidic chips was revolutionized by 3D printing. It is not only used for rapid prototyping of molds, but also for manufacturing of complex chips and even integrated active parts like pumps and valves, which are essential for many microfluidic applications. The manufacturing of multiport injection valves is of special interest for analytical microfluidic systems, as they can reduce the injection to detection dead volume and thus enhance the resolution and decrease the detection limit. Designs reported so far use radial compression of rotor and stator. However, commercially available nonprinted valves usually feature axial compression, as this allows for adjustable compression and the possibility to integrate additional sealing elements. In this paper, we transfer the axial approach to 3D-printed valves and compare two different printing techniques, as well as six different sealing configurations. The tightness of the system is evaluated with optical examination, weighing, and flow measurements. The developed system shows similar performance to commercial or other 3D-printed valves with no measurable leakage for the static case and leakages below 0.5% in the dynamic case, can be turned automatically with a stepper motor, is easy to scale up, and is transferable to other printing methods and materials without design changes.
Ionothermal Synthesis of Metal‐Organic Frameworks Using Low‐Melting Metal Salt Precursors** (2023)

Abstract Metal‐organic frameworks (MOFs) are porous, crystalline materials constructed from organic linkers and inorganic nodes with myriad potential applications in chemical separations, catalysis, and drug delivery. A major barrier to the application of MOFs is their poor scalability, as most frameworks are prepared under highly dilute solvothermal conditions using toxic organic solvents. Herein, we demonstrate that combining a range of linkers with low‐melting metal halide (hydrate) salts leads directly to high‐quality MOFs without added solvent. Frameworks prepared under these ionothermal conditions possess porosities comparable to those prepared under traditional solvothermal conditions. In addition, we report the ionothermal syntheses of two frameworks that cannot be prepared directly under solvothermal conditions. Overall, the user‐friendly method reported herein should be broadly applicable to the discovery and synthesis of stable metal‐organic materials.
Development of dielectric and amorphous-silicon-based thin film coatings for room- and cryogenic temperature applications (2004)

This paper reports on the development of dielectric and amorphous silicon-based thin film stacks for applications at room and liquid nitrogen (LN) cryogenic temperatures. The deposition process was performed using assisted energetic evaporation processes such as Reactive Low Voltage Ion Plating (RLVIP) and Ion Assisted Deposition (IAD). Dielectric coatings produced by RLVIP exhibited fairly good stability at LN temperature. Indeed, as compared to room temperature, a spectral shift of &nabla;&lambda;0.5 = -2.9 nm at half maximum was obtained for a 3-cavity bandpass filter centered at 1570 nm. Amorphous silicon and silicon dioxide stacks deposited by IAD processes were tested for optical applications. Amorphous silicon thin films showed good mechanical stability at LN temperature. The influence of deposition parameters and operating temperature on the electrical, mechanical and optical properties of amorphous Si films was investigated.
Supplementary Data from Hypoxia-Reoxygenation Couples 3βHSD1 Enzyme and Cofactor Upregulation to Facilitate Androgen Biosynthesis and Hormone Therapy Resistance in Prostate Cancer (2023)

Supplementary Data from Hypoxia-Reoxygenation Couples 3βHSD1 Enzyme and Cofactor Upregulation to Facilitate Androgen Biosynthesis and Hormone Therapy Resistance in Prostate Cancer
Consequence of evolutionary loss of seasonal breeding by humans for prostate cancer chemoprevention. (2023)

During mammalian evolution, circulating levels of gonadotropins [i.e., luteinizing hormone (LH) and follicle-stimulating hormone (FSH)] acquired regulation by environmental (e.g., light, temperature, water, food, predators, etc.), and social (e.g., sound, sight, aggression, crowding, etc.) inputs that determine the level of testosterone production and secretion by the testis and systemic levels in the blood. This regulation became coordinated by interaction between the retinohypothalamic-pineal and the hypothalamic-pituitary neural axes, which resulted in androgen levels and its ligand-dependent transducing receptor being the master downstream determinant of male reproduction. A major factor in this selection of androgen levels relates to the unique danger of mammalian reproduction for survival of the individual. During mammalian evolution, breeding needed for survival of the species became episodically (i.e., seasonally) timed by androgen levels. Seasonal breeding has great reproductive advantage in restricting energy requirements for reproduction and limiting dangers associated with procreation (i.e., survival of the species) at the expense of suppression of the flight instinct (i.e., survival of the individual) to the minimal time frame of the breeding season. Human males evolved away from strict seasonal breeding by chronically maintaining androgen levels, enabling human males to reproduce year-round and worldwide, rather than "locking" them into specific indigenous breeding ranges, like other mammals. The price for the reproductive "freedom" that arises from the loss of seasonal breeding is an increased probability of developing prostate cancer as a result of chronically maintaining a hyperplastic state in the prostate. In human males, this results in the loss of episodic pruning of genetically-mutated prostate cancer precursors that normally occurs during seasonal breeding. Instead, the continuous androgen-dependent stimulation of the growth of such precursors occurs during prostate carcinogenesis. This review provides the rationale for the development of a therapeutic approach using PSA-activated prodrugs to selectively deplete prostate-specific AR protein for chemoprevention of prostate cancer.
On the bit-complexity of Lempel-Ziv compression (2009)

One of the most famous and investigated lossless data-compression schemes is the one introduced by Lempel and Ziv about 30 years ago [37]. This compression scheme is known as dictionary-based compressor and consists of squeezing an input string by replacing some of its substrings with (shorter) codewords which are actually pointers to a dictionary of phrases built as the string is processed. Surprisingly enough, although many fundamental results are nowadays known about the speed and effectiveness of this compression process (see e.g. [23, 28] and references therein), are not aware of any parsing scheme that achieves optimality when the LZ77-dictionary is in use under any constraint on the codewords other than being of equal length [28, pag. 159]. Here optimality means to achieve the minimum number of bits in compressing each individual input string, without any assumption on its generating source. In this paper we investigate three issues pertaining to the bit-complexity of LZ-based compressors, and we design algorithms which achieve bit-optimality in the compressed output size by taking efficient/optimal time and optimal space. These theoretical results will be sustained by some experiments that will compare our novel LZ-based compressors against the most popular compression tools (like gzip, bzip2) and state-of-the-art compressors (like the booster of [14, 13]).
Downhole Multiphase Flow Monitoring Using Fiber Optics (2017)

Abstract Distributed Acoustic Sensing (DAS) technology has been used in an increasing number of applications in the petroleum industry.Multiphase flow rate measurement is an important DAS application. In this work we provide a forward model relating multiphase flow rates and two-phase flow patterns in the wellbore to the DAS data. Modeling consists of a series ofanalytical relationships between various physical parameters, which allows for simulating DAS data efficiently based on various assumptions regarding the flow and wellbore. The forward model also allows us to characterize various mechanisms that introduce uncertainty to DAS data and various parameters estimated from DAS data. We also discuss methods to analyze DAS data to find the speed of sound and flow rates in the wellbore. The forward model enables us to develop efficient algorithms for the inverse model, including the wavelet transform and artificial neural networks to analyze DAS data in real time and calculate the flow rate and flow patterns in the wellbore.
Anaphora Resolution in Multi-Person Dialogues (2004)

Anaphora resolution for dialogues is a difficult problem because of the several kinds of complex anaphoric references generally present in dialogic discourses. It is nevertheless a critical first step in the processing of any such discourse. In this paper, we describe a system for anaphora resolution in multi-person dialogues. This system aims to bring together a wide array syntactic, semantic and world knowledge based techniques used for anaphora resolution. In this system, the performance of the heuristics is optimized for specific dialogues using genetic algorithms, which relieves the programmer of hand-crafting the weights of these heuristics. In our system, we propose a new technique based on the use of anaphora chains to enable resolution of a large variety of anaphors, including plural anaphora and cataphora. 1
Bile Salt Hydrolase Activities: A Novel Target to Screen Anti-Giardia Lactobacilli? (2018)

<i>Giardia duodenalis</i> is a protozoan parasite responsible for giardiasis, a disease characterized by intestinal malabsorption, diarrhea and abdominal pain in a large number of mammal species. Giardiasis is one of the most common intestinal parasitic diseases in the world and thus a high veterinary, and public health concern. It is well-established that some probiotic bacteria may confer protection against this parasite <i>in vitro</i> and <i>in vivo</i> and we recently documented the implication of bile-salt hydrolase (BSH)-like activities from strain La1 of <i>Lactobacillus johnsonii</i> as mediators of these effects <i>in vitro</i>. We showed that these activities were able to generate deconjugated bile salts that were toxic to the parasite. In the present study, a wide collection of lactobacilli strains from different ecological origins was screened to assay their anti-giardial effects. Our results revealed that the anti-parasitic effects of some of the strains tested were well-correlated with the expression of BSH-like activities. The two most active strains <i>in vitro</i>, La1 and <i>Lactobacillus gasseri</i> CNCM I-4884, were then tested for their capacity to influence <i>G. duodenalis</i> infection in a suckling mice model. Strikingly, only <i>L. gasseri</i> CNCM I-4884 strain was able to significantly antagonize parasite growth with a dramatic reduction of the trophozoites load in the small intestine. Moreover, this strain also significantly reduced the fecal excretion of <i>Giardia</i> cysts after 5 days of treatment, which could contribute to blocking the transmission of the parasite, in contrast of La1 where no effect was observed. This study represents a step toward the development of new prophylactic strategies to combat <i>G. duodenalis</i> infection in both humans and animals.
Field Orientation Dependence of Spin-Torque-Induced RF Oscillations in Magnetic Tunnel Junctions (2009)

Spin-torque-induced RF oscillations in MgO-based magnetic tunnel junctions (MTJs) were investigated at two different in-plane angles of applied magnetic field. The RF spectra with the magnetic field applied in the hard axis direction of the MTJ showed a simple Lorentzian-type peak structure, while those measured in the easy axis direction had a complicated peak structure. It was found by analyzing Lorentzian-type RF spectra that the linewidth decreased linearly as the injected dc current was increased. The linear decrease of the linewidth indicates the reduction of effective damping in the magnetization dynamics due to spin-transfer-torque. The RF output power measured with the magnetic field in the hard axis direction was 32 nW, which was larger than that measured with the magnetic field in the easy axis direction.
Metal–ligand cooperative activation of nitriles by a ruthenium complex with a de-aromatized PNN pincer ligand (2016)

The pincer complex (PNN)RuH(CO), with a de-aromatized pyridine in the ligand backbone, is shown to react with nitriles in a metal-ligand cooperative manner. This leads to the formation of a series of complexes with new Ru-N(nitrile) and C(ligand)-C(nitrile) bonds. The initial nitrile cycloaddition products, the ketimido complexes 3, have a Brønsted basic (nitrile-derived) Ru-N fragment. This is able to deprotonate a CH<sub>2</sub> side-arm of the pincer ligand to give ketimine complexes (4) with a de-aromatized pyridine backbone. Alternatively, the presence of a CH<sub>2</sub> group adjacent to the nitrile functionality can lead to tautomerization to an enamido complex (5). Variable-temperature NMR studies and DFT calculations provide insight in the relative stability of these compounds and highlight the importance of their facile interconversion in the context of subsequent nitrile transformations.
Photoinduced electron-transfer reactions of 2(3H)-furanones and bis(benzofuranones). Spectral and kinetic behavior of radicals and radical cations (1985)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTPhotoinduced electron-transfer reactions of 2(3H)-furanones and bis(benzofuranones). Spectral and kinetic behavior of radicals and radical cationsH. F. Davis, B. B. Lohray, K. R. Gopidas, C. V. Kumar, P. K. Das, and M. V. GeorgeCite this: J. Org. Chem. 1985, 50, 20, 3685–3692Publication Date (Print):October 1, 1985Publication History Published online1 May 2002Published inissue 1 October 1985https://pubs.acs.org/doi/10.1021/jo00220a002https://doi.org/10.1021/jo00220a002research-articleACS PublicationsRequest reuse permissionsArticle Views291Altmetric-Citations13LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose Get e-Alerts
Combinatorial and High-Throughput Materials Research (2004)

The success of combinatorial and high-throughput methodologies relies greatly on the availability of various characterization tools with new and improved capabilities [1]. Indeed, how useful can a combinatorial library of 250, 400, 25 000 or 2 000 000 compounds be [2–5] if one is unable to characterize its properties of interest fairly quickly? How useful can a set of thousands of spectra or chromatograms be if one is unable to analyse them in a timely manner? For these reasons, the development of new approaches for materials characterization is one of the most active areas in combinatorial materials science.
Synthesis of lumped transmission-line analogs (2006)

Transmission lines and their lumped approximating networks have long been incorporated into radio-frequency power amplifiers to improve efficiency and shape circuit waveforms, and are beginning to perform a similar roles in high-frequency switched-mode power electronics. Though lumped line-simulating networks are often preferred to their distributed exemplars for reasons of design flexibility and manufacturability, the impedance peaks and nulls of such lumped networks must be aligned in a precise, harmonic manner to minimize loss and symmetrize converter waveforms. This paper addresses the issue of harmonic frequency alignment in line-simulating networks, presenting new analytic results for predicting the impedance-minimum and -maximum frequencies of networks in a ladder form. Two means of correcting for the observed harmonic misalignment in practical structures will be presented, corroborated by measurements of laminar structures built into the thickness of printed-circuit boards. These structures comprise inductances and capacitances whose dimensions are largely decoupled, such that the simulated line can be accurately analyzed and designed on a lumped basis. The presented techniques will be placed within a power-electronics setting by a representative application incorporating a lumped, line-simulating network.
Xanthine Oxidase Inhibitory and Molecular Docking Studies on Pyrimidones (2018)

These non-cytotoxic, significant XO inhibitors can thus be further investigated for the treatment of hyperuricemia, and gout.
A recombinant immunotoxin engineered for increased stability by adding a disulfide bond has decreased immunogenicity (2011)

Recombinant immunotoxins (RITs) are anti-cancer agents that combine the Fv of an antibody against cancer cells with a protein toxin from bacteria or plants. Since RITs contain a non-human protein, immunogenicity can be an obstacle in their development. In this study, we have explored the hypothesis that increasing stability can reduce the immunogenicity of a RIT using HA22-LR, which is composed of an anti-CD22 Fv fused to domain III of Pseudomonas exotoxin A. We introduced a disulfide bond into domain III by identifying and mutating two structurally adjacent residues to cysteines at sites suggested by computer modeling. This RIT, HA22-LR-DB, displays a remarkable increase in thermal stability and an enhanced resistance to trypsin degradation. In addition, HA22-LR-DB retains cytotoxic and anti-tumor activity, while exhibiting significantly lower immunogenicity in mice. This study demonstrates that it is possible to design mutations in a protein molecule that will increase the stability of the protein and thereby reduce its immunogenicity.
Kinetics of central macular thickness reduction in patients with macular edema after intravitreal drug therapy (2011)

Significant central macular thickness and volume reductions occur in the first hours after injection with triamcinolone and/or bevacizumab.
Factors that Help and Hinder a Daily Weighing and Reporting Behavior (2017)

People living with chronic health conditions have two common challenges: implementing positive health behavior habits, and monitoring & reporting their health status regularly. We examined how the use of a mobile app can help patients face these challenges in the context of a scenario in which a patient needs to weigh themselves daily and report the data to their care team. We implemented a habit formation technique to help people establish the daily weighing habit and tested the use of a WiFi-connected "smart" scale to help people with data reporting. We found that the smart weight scale did improve compliance compared to a manual scale, but that the habit manipulation ("implementation intention" plus coaching through text messaging) did not have an effect. Emergent factors, identified through coding of interviews, raised additional hypotheses about mechanisms involved in determining compliance with a daily weighing habit.