gebhart/patrepeval huggingface dataset:
Use of 2-Bromophenylboronic Esters as Benzyne Precursors in the Pd-Catalyzed Synthesis of Triphenylenes (2014)

ortho-Substituted aryl boronates are introduced as aryne precursors for transition-metal-catalyzed transformations. On treatment with (t)BuOK and Pd(0), metal-bound aryne intermediates are formed that undergo effective trimerization to form useful triphenylene compounds. For meta-substituted arynes, the 3:1 product ratio in favor of non-C3 symmetric material is indicative of a benzyne mechanism.
Formant labelling using pole-focused spectra (1987)

An algorithm is introduced which labels formants from the peaks of pole-focused spectra. A clustering procedure is first used to produce line segments of possible formants. These can be considered as anchor traces for the later processing.Rule-based labelling is then applied to provide final formant trace estimates. Experimental results show that the proposed algorithm offers improved formant labelling accuracy.
Protein Supplementation of Grazing Livestock: A Review (1990)

Protein supplementation of grazing livestock has been studied for decades. However, despite theseefforts, supplementation remains highly empirical. Unfortunately, refinement of supplementation programs will necessarily remain empirical due to thelimited ability to quantify relationships among energy and nitrogen (N) in forages, nutrient yields to the grazing animal, and animal product yield thatare required in the more recent models of N requirements (83, 129). Development and application of programs based on ruminally degradable protein (RDP) and undegradable protein (UDP) will involve formulation based upon empirical knowledge of animal response to various supplements and observationsof forage nutrient composition. Monitoring livestock response to supplements with varied RDP/UDP profiles and corresponding forage conditions (chemical composition and digestibility, forage availability) should allow nutritionists to begin to develop a rational basis for formulating supplementsbased on easily measured forage characteristics. Additionally, development of methods to monitor the plane of nutrition of grazing livestockwould improve the application of supplementation programs. Supplementation can be one of the greater economic drains on production of livestockfrom range and pastures. This inefficiency can result from utilizing relatively poor feedstuffs, improper timing of feeding, and (or) incomplete understanding of supplement requirements of different livestock classes and physiological states. Areas that could improve economic efficiency are: 1) for mulations that reduce the quantity of supplement required to maintain a desired level of performance,2) tailored supplements for varied forage conditions and animal requirements, 3) more efficient delivery methods, and 4) improved monitoring of the nutritional status of grazing livestock.
Advances in transportation and geoenvironmental systems using geosynthetics : proceedings of sessions of Geo-Denver 2000, August 5-8, 2000, Denver, Colorado (2000)

in geosynthetics have led to significant innovations in the design of geotechnical and geoenvironmental systems during the last several decades. New geosynthetic barrier systems have been developed and fully incorporated into modern landfill design, a proliferation of geosynthetics in hydraulic applications have reduced the need for granular filters and drains, and amazing advances in reinforced soil technology have revolutionized the way in which engineers now think of walls and embankments. Advances in Transportation and Geoenvironmental Systems Using Geosynthetics outlines the current trends and developments in the rapidly evolving use of geosynthetics in critical engineering projects. These 27 technical papers discuss advances in design and application of geosynthetics in the areas of geoenvironmental systems, hydraulic systems, and reinforced soil systems. Additionally, a section is devoted specifically to monitoring systems reinforced with geosynthetics. Keynote papers on landfill failures and full scale testing of geosynthetic reinforced soil retaining walls are also included in the proceedings.
Standardization of Fiber-Optic Probes for Near-Infrared Multivariate Calibrations (1998)

The standardization of Fourier transform near-infrared (FT-NIR) spectrometers equipped with fiber-optic probes was investigated. FT-NIR spectra of caustic brines for an industrial process were measured on two different instruments. Calibration transfer across the instruments and probes was studied by employing calibration models built on one instrument to predict properties from spectra measured on the other. The transfer was examined by using spectra without and with preprocessing. The preprocessing methods included a Savitzky–Golay (SG) derivative polynomial filter, a procedure based on a finite impulse response (FIR) filter, and a combination of both. In addition to being a preprocessing technique, the FIR filter is also a standardization method that transforms the instrument response function of one instrument to match that of another. The transformation is performed over a moving processing window without the use of transfer standards. In this study, application of the FIR filter to first-derivative spectra provided the best multivariate calibration models and led to the successful transfer of calibration across different probes and spectrometers.
LAB-ON-A-CHIP FOR LABEL-FREE MULTI- DETECTION OF RESIDUAL ANTIBIOTICS IN MILK (2008)

This paper reports the design, fabrication and test of microfluidic cartridges that integrate reservoirs, channels, incubation chamber and optical transducer for automated multi-antibiotics detection in raw milk. The resulting lab-on-a-chip is prefilled with the biological solutions required for the immunoassay. The whole detection sequence is operated automatically by external pump and valves combination. The immunoassay principle is based on a competitive assay format, and the resulting refractive index changes at the sensor surface is measured by wavelength interrogated optical sensing (WIOS) method. Using the developed instrument, two antibiotic families were simultaneously detected in less than 10 minutes.
Modeling the Supramolecular Properties of Aliphatic-Aromatic Hydrocarbons with Convex-Concave Topology (1998)

The molecular tweezers 1 a and 1 b have an electrostatic potential on the concave sides of the molecule which is surprisingly negative for hydrocarbons. According to semiempirical calculations this is a general phenomenon in nonconjugated π-electron systems with concave-convex topology, and it explains the receptor properties of 1 a and 1 b.
(211) oriented ZnTe growth on m‐plane sapphire by MBE (2013)

Abstract Single‐crystalline and single domain ZnTe thin films are sought for high‐performance terahertz wave detectors, and ZnTe/sapphire heterostructures were considered since the Electro‐Optical (EO) effect could be obtained only from epilayers. ZnTe epilayers were grown on m‐plane sapphire substrates by molecular beam epitaxy, and the potential of single domain epilayers was explored. Through the X‐ray diffraction pole figure measurement it was confirmed that one (100) oriented ZnTe domain along with two kinds of (211) oriented domains were formed on the m‐plane sapphire when the layer was grown at 340 °C. When the layer was grown at 350 °C, the (211) oriented domain dominated the film. (© 2013 WILEY‐VCH Verlag GmbH &amp; Co. KGaA, Weinheim)
PM065 Independent and Joint Effects of Hypertension and Hyperhomocystinemia on Kidney Function Decline in a Chinese Community-Based Population With Normal Kidney Function (2016)

The epidemiologic distribution of hypertension among very elderly Chinese is still not clear. This study aimed to investigate the prevalence, awareness, treatment, and control rate of hypertension among very elderly in Chengdu. From May 2013 to May 2015, a total of 1056 participants from 20 residential communities were sampled. Standard face-to-face interviews, physical examinations, and biochemical analysis were undertaken. Participants had a mean age of 83.6 ± 3.4 years (range: 80–100), and 49.8% were men. Mean systolic blood pressure (BP) and diastolic BP were 146.4 ± 20.6 and 74.1 ± 11.9 mm Hg, respectively, and both of the highest BP levels were among participants aged 80–84 years. Mean pulse pressure was 72.5 ± 17.1 mm Hg, and the highest pulse pressure level was among participants aged 90 years and older. The overall estimated hypertension prevalence was 75.3% (95% confidence interval: 72.6%–77.9%), and among overall participants, 51.9% were aware of their hypertensive condition and 45.5% were treated. However, only 18.1% of hypertensive participants were controlled (BP < 140/90 mm Hg). Among very elderly Chinese in Chengdu, the prevalence of hypertension is predominantly high, whereas awareness, treatment, and control rates are considerably low. Effective primary and secondary prevention strategies are needed.
Propanolysis of arenesulfonyl chlorides: Nucleophilic substitution at sulfonyl sulfur (2017)

Abstract We have studied the mechanism of solvolysis of arenesulfonyl chlorides by propan‐1‐ol and propan‐2‐ol at 303‐323 K. Kinetic profiles were appropriately fit by first‐order kinetics. Reactivity increases with electron‐donating substituents. Ortho ‐alkyl substituted derivatives of arenesulfonyl chlorides show increased reactivity, but the origin of this “positive” ortho ‐effect remains unclear. Likely, ortho ‐methyl groups restrict rotation around the C‐S bond, facilitating the attack of the nucleophile. No relevant reactivity changes have been found with propan‐1‐ol and propan‐2‐ol in terms of nucleophile steric effect. The existence of isokinetic relationships for all substrates suggests a single mechanism for the series. Solvolysis reactions of all substrates in both alcohols show isokinetic temperatures (T iso ) close to the working temperature range, which is an evidence of the process being influenced by secondary reactivity factors, likely of steric nature in the TS. Solvation plays a relevant role in this reaction, modulating the reactivity. In some cases, the presence of t ‐Bu instead of Me in para‐ position leads to changes in the first solvation shell, increasing the energy of the reaction ( ca. 1 kJ·mol −1 ). The obtained results suggest the same kinetic mechanism of solvolysis of arenesulfonyl chlorides for propan‐1‐ol and propan‐2‐ol, as in MeOH and EtOH, where bimolecular nucleophilic substitution (S N 2) takes place with nucleophilic solvent assistance of one alcohol molecule and the participation of the solvent network involving solvent molecules of the first solvation shell.
Concentration forcing of catalytic surface rate processes: Part I. Isothermal carbon monoxide oxidation over supported platinum (1979)

Abstract Periodic feed switching between carbon monoxide/argon and oxygen/argon mixtures to a gradientless reactor has been found to significantly increase the average reaction rate as compared to the steady state rate, when the time averaged feed concentrations in both cases are stoichiometric. The rate enhancement achieved during periodic reactor operation is attributed to the attainment of more desirable surface concentrations on the platinum catalyst which dramatically increase the surface rate processes leading to carbon dioxide production.
An Inhibitory Antibody Blocks Interactions between Components of the Malarial Invasion Machinery (2009)

Host cell invasion by apicomplexan pathogens such as the malaria parasite Plasmodium spp. and Toxoplasma gondii involves discharge of proteins from secretory organelles called micronemes and rhoptries. In Toxoplasma a protein complex comprising the microneme apical membrane antigen 1 (AMA1), two rhoptry neck proteins, and a protein called Ts4705, localises to the moving junction, a region of close apposition between parasite and host cell during invasion. Antibodies against AMA1 prevent invasion and are protective in vivo, and so AMA1 is of widespread interest as a malaria vaccine candidate. Here we report that the AMA1 complex identified in Toxoplasma is conserved in Plasmodium falciparum. We demonstrate that the invasion-inhibitory monoclonal antibody (mAb) 4G2, which recognises P. falciparum AMA1 (PfAMA1), cannot bind when PfAMA1 is in a complex with its partner proteins. We further show that a single completely conserved PfAMA1 residue, Tyr251, lying within a conserved hydrophobic groove adjacent to the mAb 4G2 epitope, is required for complex formation. We propose that mAb 4G2 inhibits invasion by preventing PfAMA1 from interacting with other components of the invasion complex. Our findings should aid the rational design of subunit malaria vaccines based on PfAMA1.
ChemInform Abstract: Geometrical Characteristics from Experiment and Theory of Isostructural Complexes Involving Palladium ‐ and Platinum ‐ Methyl Bonds. (1986)

Abstract Pd(II) and Pt(II) systems often show different chemistry in oxidative addition and reductive elimination reactions.
IκBL, a novel member of the nuclear IκB family, inhibits inflammatory cytokine expression (2011)

We previously reported that IκBL prevents experimental autoimmune arthritis. The molecular mechanism, however, still remains unclear. In contrast to four splicing-isoforms of IκBL in human, two isoforms were identified in mouse. The major isoform IκBL-α(S) suppressed LPS-induced NF-κB activation and transcription of TNFα and IL-6, but not IL-1β. The suppressive activity required the nuclear localization signal and the ankyrin repeat domain of IκBL. IκBL did not affect the nuclear translocation of the NF-κB dimer. These findings point to IκBL as being a novel member of the nuclear IκB family, which functions in the nucleus and controls various inflammatory responses including autoimmune arthritis.
Dynamic network interface selection in multihomed mobile hosts (2003)

Current mobile devices are often equipped with several network interfaces, which may be of different access technologies, both wireless and cellular. Different requirements of different applications can result in a different preference of the interface that should be used. Network connections should be placed in the best possible interface based on these requirements. During communication, changes in the availability or characteristics of an access network behind an interface may result in a situation where already established connections should to be moved from one interface to another. For this purpose, a variety of mobility management protocols supporting handoffs between interfaces have been proposed. Some of these protocols move all traffic from one interface to another at once, while some protocols allow simultaneous communication over different interfaces. However, the current solutions do not propose any means for the user or application to be able to dynamically influence the interface selection during the operation of a mobile device. In this paper, we present an interface selection mechanism for multihomed mobile hosts. The mechanism allows for dynamic decision-making during the operation of a mobile device. In our solution, the local routing is controlled by user-defined rules defining which interface to be used for a certain traffic flow. The actual decision is based on the adaptation of these rules into availability and characteristics of the interfaces and access networks at any given time.
Comparative effects of cotrimoxazole (trimethoprim‐sulphamethoxazole),pyrimethamine‐sulphadiazine and spiramycin during avirulent infection with Toxoplasma gondii (Beverley strain) in mice (1983)

The antitoxoplasm effects of cotrimoxazole (Ctx), spiramycin (Spir) and pyrimethamine-sulphadiazine (Pmm-Sdz) were compared during both proliferative and chronic phases of infection of mice with the Beverley (Bev) strain of Toxoplasma gondii of low virulence. The therapeutic efficacy of the drugs was determined according to the following criteria: (i) specific antibody response; (ii) acquired resistance to lethal challenge with the virulent RH strain of Toxoplasma; and (iii) persistence of parasites in tissues (brain, liver, spleen) of treated mice. The results indicated that Ctx, like Pmm-Sdz, had a greater effect than Spir upon toxoplasma organisms during the proliferative phase of infection. In contrast, none of the three drugs tested was active against tissue cysts in chronically infected mice.
Vis. Lit. at Carey (1975)

Floundering towards the shallow end of my first year in teaching Film Study, with the Leaving examination heaving into my fish-eyed vision, I can flashback over a voyage of storm and stress, lull and loll, assuaged by intermissions of profitable exercises and pleasure. Buoyed up by the State Film Centre's generous lifeline of films, torpedoed by fractious projectors, shelled by the odd staff member sniping from behind an academic figleaf, I soldiered on through the obligatory Lumieres - are they really enlightening? - to The Back of Beyond, which is just about where the flood of archival celluloid slurps to a trickle of talking head interviews. As I strain by the speaker to catch Sam Spiegel spouting about production or silently die with William S. Hart or become optically unnerved by Norman McLaren, I try to fathom the feasibility of devising a prescriptive Leaving Course that is not deemed unworthy in comparison with standard academic fare.
Glycosylation of secretory proteins in salivary glands and saliva studied by lectin probes (1996)

Lectin-probes were used histochemically to study glycosylation patterns in prepackaged secretory material in cat and rat submandibular glands and to assess the secretory changes induced by nerve stimulations. The same probes were also used for correlative biochemical assessments of the constituents in glandular extracts and in saliva from the same experiments, after electrophoretic separations and immobilization on nitrocellulose membranes. These studies provided a broader understanding than the use of either procedure alone. Lectin binding patterns in saliva were more complex than anticipated from the histochemistry and this probably relates to the presence of different constituents in secretory granules and a greater availability of binding sites biochemically. In cats, parasympathetic stimulation caused depletion of lectin staining in acini and to some extent in demilunes, whereas sympathetic stimulation caused depletion of lectin binding in striated ducts and reduction in demilunar size. Biochemically after SDS-PAGE of saliva similar secretory effects were observed but each nerve also evoked some secretion from the cells not showing histochemical change. In rats, sympathetic stimulation caused depletion of lectin positive granules from both acini and granular tubules. After SDS-PAGE of the saliva one zone of lectin binding 94-150 kD (Mr) was identified as acinar mucin. Granular tubule proteins consisting mainly of kallikreins occurred in a zone 25-35 kD (Mr) and lectin bindings suggested that different kallikreins may be differently glycosylated. This unexpected possibility was confirmed on slot-blot preparations of separated kallikreins, which also revealed the novel finding that some kallikreins are O- as well as N-glycosylated.
Newest clinical trial results with antitumor necrosis factor and nonantitumor necrosis factor biologics for rheumatoid arthritis (2013)

Biologic therapy in RA has significantly changed the course of RA in the last decade. Recently published clinical trials have been focused on comparative efficacy, cardiovascular safety of biologics and potential anti-TNF therapy discontinuation in patients with RA.
Detection of Hate Speech in COVID-19–Related Tweets in the Arab Region: Deep Learning and Topic Modeling Approach (2020)

The COVID-19 pandemic poses serious public health challenges to nations worldwide. During the COVID-19 pandemic, frequent use of social media can contribute to the spread of hate speech. Hate speech on the web can have a negative impact on society, and hate speech may have a direct correlation with real hate crimes, which increases the threat associated with being targeted by hate speech and abusive language. This study is the first to analyze hate speech in the context of Arabic COVID-19-related tweets in the Arab region.
Mixed-state sensitivity of several quantum-information benchmarks (2004)

We investigate an imbalance between the sensitivity of the common state measures---fidelity, trace distance, concurrence, tangle, von Neumann entropy, and linear entropy---when acted on by a depolarizing channel. Further, in this context we explore two classes of two-qubit entangled mixed states. Specifically, we illustrate a sensitivity imbalance between three of these measures for depolarized (i.e., Werner-state-like) nonmaximally entangled and maximally entangled mixed states, noting that the size of the imbalance depends on the state's tangle and linear entropy.
PIC simulations of laser-induced proton acceleration by resonant nanoantennas for fusion (2023)

Rapid recent development in laser technology and methods learned from relativistic heavy ion physics led to new possibilities for fusion. Using a Hydrogen rich UDMA-TEGDMA polymer fusion target, laser irradiation ionizes the target. If we implant nanoantennas into the target resonating to the laser light frequency massive number of electrons of the ionized plasma resonate within the nanoantenna forming a so called nanoplasmonic wave. Our kinetic model simulation with a Hydrogen target indicates that the field of these resonating electrons attracts and accelerates the surrounding protons of the plasma to multi-MeV energy. These protons are then energetic enough to achieve nuclear transmutation and fusion reactions. Without resonating nanoantenna there is no such collective proton acceleration, no energetic protons, and nuclear reactions at 30 mJ laser pulse energy.
UVB-Induced Pigmentation in Hairless Mice as an in vivo Assay for Topical Skin-Depigmenting Activity (1989)

Several reports have demonstrated that exposure to ultraviolet light elicits increased pigmentation in the skin of the Skh:HR2 mouse. We have reexamined this model to assess its potential as a screen for compounds with skin-depigmenting activity. The application of the previously reported ultraviolet light-B (UVB) doses led to marked necrotic damage to the skin which greatly diminished the usefulness of the model for drug testing. We have modified this model by exposing the mice to a progressively increasing dose of UVB that promotes pigmentation with a marked reduction of skin irritation. Furthermore, for compound evaluation, we preselected only those mice which developed signs of increased pigmentation after the first week of UVB exposure. This was critical for any meaningful compound evaluation, since only about 50% of the mice eventually showed signs of increased pigmentation with UVB. Our modifications make it possible to use this model for evaluating new compounds with skin-depigmenting activity. The validity of this method has been examined with a number of compounds including hydroquinone, 4-hydroxyanisole, kojic acid and all-trans retinoic acid, all with known depigmenting activity.