gebhart/patrepeval huggingface dataset:
Dimethylformamide (2000)

Abstract Dimethylformamide (DMF) is a widely used solvent and reagent, both in the laboratory and in industry. Its industrial applications range from the synthesis and purification of pharmaceutical products to its use as a cleaning solvent for printed circuit boards. This article reviews the properties, uses, manufacture, handling, and safety of DMF. DMF is currently manufactured by one of two carbonylation processes. In a two‐step process, methanol is carbonylated to methyl formate, which then reacts with dimethylamine to give DMF. The other method of commercial significance is the direct carbonylation of dimethylamine to DMF. Uses include pharmaceutical applications, polymer processing and production, extraction and absorption processes, and laboratory synthesis. Although it is generally a safe solvent, it must be handled properly. Its use must take into account its toxicity, reactivity, and tendency to be absorbed through the skin.
Improved Charge Transport in PbS Quantum Dot Thin Films following Gel Permeation Chromatography Purification (2021)

We report a systematic investigation of the electronic properties of lead sulfide quantum dot (QD) films prepared by gel permeation chromatography (GPC) or conventional precipitation/redispersion (PR) to identify the effect of these different purification methods. Following spin coating and ligand exchange with ethanedithiol, metal top contacts were patterned by evaporation through a shadow mask. A transmission line model (TLM) approach was employed to separate the bulk resistivity from the contact resistance. The GPC-purified film showed a resistivity as low as 1.5 kΩ-cm, ∼3× lower than for PR, as well as decreased contact resistance with Au contacts. These differences in electronic properties were accompanied by decreased surface roughness. By tuning the workfunction of metal contacts to these films, a transition from ohmic to rectifying behavior characteristic of p-type conductivity was observed. The contrasting behavior of the ohmic- and Schottky-contacted devices permits estimation of majority carrier (hole) and minority carrier (electron) properties, respectively. With ohmic contacts, the GPC-purified film displayed an increased responsivity (>10 mA/W) and photoconductive gain along with a decrease in photocurrent lifetimes, indicating improved mobility. Scanning photocurrent microscopy (SPCM) was used to characterize the minority carrier diffusion length in Schottky-contacted devices, which was found to be comparable in all three films studied, but a much shorter photocurrent lifetime in the GPC-purified film indicates a much greater electron mobility, indicative of diminished trapping. The results indicate that film properties are sensitive to preparation conditions in addition to ligand density and that GPC is a highly effective route to QDs suited for optoelectronic applications.
Big changes are ahead – a new format for crystallization communications in<i>Acta Cryst. F</i> (2013)

The coming year 2014 will be an important year for crystallography as the scientific community throughout the world celebrates the International Year of Crystallography. Acta Cryst. F will commemorate this special event with a series of articles defining the current state-of-the-art in macromolecular crystallization, with one article appearing per month throughout 2014 and into 2015. We expect this series to be a useful resource for our readership and the wider structural biology community alike. Stay tuned.
Synthesis, structure and luminescence of ruthenium complexes with 6-cyano-2,2’-bipyridines (2005)

The crystallographic data, NMR and UV-VIS spectra and luminescence of the heteroleptic complexes [Ru(L)(bpy)2](PF6)2 (L = 5-aryl-6-cyano-2,2’-bipyridine) are described.
Transition‐Metal‐Free Approach for the Direct Arylation of Thiophene: Experimental and Theoretical Investigations towards the (Het)‐Aryne Route (2018)

This paper presents the results of our investigations on the arylation of thiophene using the transition‐metal‐free “aryne coupling” methodology. The reaction was studied by both experiment and computation (density functional theory) and comparison with phenyllithium was established. In parallel, the effects of the ligand and the salt on the coupling reaction were examined. The results underline the remarkable effect of such additives on the coupling reaction and the potency of the method to construct hetaryl–aryl backbones which open up promising access to a wide range of heterobiaryl structures using the novel “Het‐Aryne” route.
<i>Cryptococcus neoformans</i> Capsular Glucuronoxylomannan Induces Expression of Fas Ligand in Macrophages (2005)

The major component of capsular material of Cryptococcus neoformans is glucuronoxylomannnan (GXM), a polysaccharide that exhibits potent immunosuppressive properties in vitro and in vivo. The results reported here show that 1) soluble purified GXM induces a prompt, long-lasting, and potent up-regulation of Fas ligand (FasL) on macrophages, 2) the up-regulation of FasL is related to induced synthesis and increased mobilization to the cellular surface, 3) this effect is largely mediated by interaction between GXM and TLR4, 4) FasL up-regulation occurs exclusively in GXM-loaded macrophages, 5) macrophages that show up-regulation of FasL induce apoptosis of activated T cells expressing Fas and Jurkat cells that constitutively express Fas, and 6) anti-Fas Abs rescue T cells from apoptosis induced by GXM. Collectively our results reveal novel aspects of the immunoregulatory properties of GXM and suggest that this nontoxic soluble compound could be used to dampen the immune response, to promote or accelerate the death receptor, and to fix FasL expression in a TLR/ligand-dependent manner. In the present study, we delineate potential new therapeutic applications for GXM that exploit death receptors as key molecular targets in regulating cell-mediated cytotoxicity, immune homeostasis, and the immunopathology of diseases.
Tasquinimod Modulates Suppressive Myeloid Cells and Enhances Cancer Immunotherapies in Murine Models (2014)

A major barrier for cancer immunotherapy is the presence of suppressive cell populations in patients with cancer, such as myeloid-derived suppressor cells (MDSC) and tumor-associated macrophages (TAM), which contribute to the immunosuppressive microenvironment that promotes tumor growth and metastasis. Tasquinimod is a novel antitumor agent that is currently at an advanced stage of clinical development for treatment of castration-resistant prostate cancer. A target of tasquinimod is the inflammatory protein S100A9, which has been demonstrated to affect the accumulation and function of tumor-suppressive myeloid cells. Here, we report that tasquinimod provided a significant enhancement to the antitumor effects of two different immunotherapeutics in mouse models of cancer: a tumor vaccine (SurVaxM) for prostate cancer and a tumor-targeted superantigen (TTS) for melanoma. In the combination strategies, tasquinimod inhibited distinct MDSC populations and TAMs of the M2-polarized phenotype (CD206(+)). CD11b(+) myeloid cells isolated from tumors of treated mice expressed lower levels of arginase-1 and higher levels of inducible nitric oxide synthase (iNOS), and were less immunosuppressive ex vivo, which translated into a significantly reduced tumor-promoting capacity in vivo when these cells were coinjected with tumor cells. Tumor-specific CD8(+) T cells were increased markedly in the circulation and in tumors. Furthermore, T-cell effector functions, including cell-mediated cytotoxicity and IFNγ production, were potentiated. Taken together, these data suggest that pharmacologic targeting of suppressive myeloid cells by tasquinimod induces therapeutic benefit and provide the rationale for clinical testing of tasquinimod in combination with cancer immunotherapies.
The Slovak Predictive Regression Model of Fall-Related Femoral Neck Fracture Risk (2013)

Objectives. Femur strength index (FSI) has been previously described as a reliable measure of femur fracture risk in a fall. FSI computation requires software associated with bone densitometry equipment and incorporates measures of bony structural integrity. Because such software is not universally available, in the present study, we describe the evaluation of the biomechanical predictors of femur fracture in a fall combined with commonly available measures of bony strength as an alternative means of predicting FSI values. Design. Binary logistic regression was used to evaluate the effect on the value of FSI when T-score total hip (bone densitometry results), body mass index (BMI), alpha angle, theta angle, and hip axis length (HAL) were increased by one whole unit of relevant measurement (i.e., 1 degree, 1 millimeter). Setting. Outpatient radiology facility. Participants. A sample of 3,216 East Slovak women aged 20-89 years with primary or secondary osteoporosis, osteopenia, or risk factors for osteoporosis who were referred to a facility for bone densitometry. Main outcome measures. FSI value of <1 was used as a proxy for pathological degree of fall-fracture risk. Results. A one-unit increase of the predictive variables were found to affect the odds of FSI <1 as follows: an increase by 1° of α angle = odds of FSI < 1b y 1.11 times, an increase by 1° of θ angle = odds of FSI < 1b y 1.23 times, an increase by 1 mm of the HAL = odds of FSI <1 by 1.04 times, an increase by 10 kg/m 2 of BMI = odds of FSI < 1b y 1.30 times, and an increase by +1 SD of the T-score total hip decreased the odds of FSI < 1b y 1.98 times.Conclusions. The Slovak Regression Model for Fall-Related Femoral Neck Fracture Risk is an effective model for estimating fall related hip fracture based on relevant biomechanical and geometric variables. Prospective epidemiological study of fall related fracture is needed validate the model.
AUTONOMIC ROBOTICS FOR FUTURE SPACE MISSIONS (2015)

This paper introduces at a high level the concept of Autonomic Robotics based on the Autonomic Computing paradigm with the aim to achieve a systematic means to obtaining self-managing and autonomous robotic software for future space missions.Three specific streams of research within this area are summarised; cooperation between the autonomic robots, an autonomic robotic architecture and the development of middleware for easier and agile software development for such systems.
Coupled reservation protocols for hierarchical single-hop photonic networks (1997)

Future photonic LANs and MANs may be based upon single-hop architectures using wavelength division multiplexing (WDM) and passive star coupling. Recently, however, single-hop designs have been introduced which use a hierarchical structure employing simple wavelength routing functions. A salient feature of this type of network is that a set of wavelengths can be reused locally, while maintaining full single-hop connectivity through a different set of globally shared wavelengths. In such a network, wavelength routing divides the system into separate local and remote subnetworks, which may be accessed from each station by a single tunable transmitter. As a result, media access protocol operation can be implemented independently for each subnetwork, or it may be coupled between levels. These two options are investigated, focusing on remote subnetwork performance. Since global connectivity is achieved using a single set of remote wavelengths, it is important that they are efficiently used. The proposed protocols implement different forms of dynamic movable boundary TDMA, using various request/allocation mechanisms motivated by the channel controller approach. It is shown that, in such networks, remote channel efficiency can be improved significantly through a strong coupling of local and remote system operation.
Study of the elementary (K−, n) reactions to search for the K¯NN bound state via the 3He (K−, n) reaction at J-PARC (2016)

We have searched for the simplest kaonic nuclear state, K¯NN, using the in-flight 3He (K−, n) reaction at the J-PARC hadron experimental facility. In the semi-inclusive neutron missing-mass spectrum at θnlab=0°, an excess of yield was observed just below the K− pp mass-threshold, which cannot be explained by any elementary reactions [PTEP 2015, 061D01]. To understand the missing-mass spectrum of 3He (K−, n) X, we investigated the elementary (K−, n) reactions using hydrogen and deuterium targets. The p (K−, n) X missing-mass spectrum was well described by the charge-exchange reaction. However, in the d (K−, n) X spectrum, we observed an excess of yield just below the K− p mass-threshold, which was similar to that in the 3He (K−, n) X spectrum.
2-<i>O</i>-(3-Hydroxyhexadecanoyl)glycerol and 2-<i>O</i>-(3-hydroxytetradecanoyl)glycerol and their 1<i>-O-</i>acetyl derivatives from the glandular trichome exudate of <i>Verbascum blattaria</i> f. <i>erubescens</i> (2012)

Chemical investigation of the glandular trichome exudate of Verbascum blattaria f. erubescens (Scrophulariaceae) led to the isolation of four new glycerides, 1-O-acetyl-2-O-[(R)-3-hydroxytetradecanoyl]-sn-glycerol, 1-O-acetyl-2-O-[(R)-3-hydroxyhexadecanoyl]-sn-glycerol, 2-O-[(R)-3-hydroxytetradecanoyl]glycerol and 2-O-[(R)-3-hydroxyhexadecanoyl]glycerol. Their structures, including the configurations at the stereogenic centres, were elucidated from spectral evidence and chemical transformations.
[PP.15.05] HEMODYNAMICS DETERMINANTS OF THE SHORT-TERM BLOOD PRESSURE VARIABILITY ACCORDING TO THE WAVE TRANSMISSION AND RESERVOIR PRESSURE THEORIES (2016)

Objective: A high short-term blood pressure variability (BPV) can predict long-term cardiovascular mortality independently of 24-hour systolic blood pressure (24-h SBP). The present study aimed to investigate the hemodynamics determinants of BPV according to models of wave transmission and reservoir pressure. Design and method: A cohort of 624 normotensive and 633 untreated hypertensive Taiwanese participants (overall 669 men, aged 30–79 years) with complete base-line ambulatory blood pressure monitoring and hemodynamics study was drawn from a community-based survey. BPV was assessed by calculating the read-to-read average real variability of the 24-h diastolic blood pressure (ARVd). The wave transmission variables included carotid-femoral pulse wave velocity (cfPWV), amplitudes of the forward (Pf) and backward (Pb) pressure waves from the decomposed carotid pressure waveforms. The reservoir pressure variables included peak (PRP), amplitude (PRA), and integral (PRI), and excess pressure integral (XPRI) of the reservoir pressure model. Results: ARVd and 24-h SBP were significantly correlated with age, body mass index, and all wave-transmission and reservoir pressure variables. Based on the wave transmission model and multi-variable regression analysis, Pb, Pf, and cfPWV were significant independent determinants of ARVd (model r2 = 0.22) and 24-h SBP (model r2 = 0.535), when age, sex, body mass index, heart rate, and total peripheral resistance were accounted for. Based on the reservoir pressure model, the significant independent determinants were PRP and PRI for AVRd (model r2 = 0.22) and all 4 variables (PRP, PRA, PRI, and XPRI) for 24-h SBP (model r2 = 0.709). The model r2 for ARVd did not improve appreciably when 24-h SBP was also added to the models (model r2 = 0.224 and 0.231, for the wave transmission and reservoir pressure models, respectively). Conclusions: Unlike 24-h SBP, BPV is only partially influenced by the hemodynamics variables and is likely mainly determined by other non-hemodynamics factors.
ChemInform Abstract: Enzyme‐Catalyzed Organic Synthesis: Practical Routes to Aza Sugars and Their Analogues for Use as Glycoprocessing Inhibitors (1993)

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.
Modelling modifiable factors associated with the probability of human rabies deaths among self-reported victims of dog bites in Abuja, Nigeria (2023)

Canine-mediated rabies kills tens of thousands of people annually in lesser-developed communities of Asia, Africa, and the Americas, primarily through bites from infected dogs. Multiple rabies outbreaks have been associated with human deaths in Nigeria. However, the lack of quality data on human rabies hinders advocacy and resource allocation for effective prevention and control. We obtained 20 years of dog bite surveillance data across 19 major hospitals in Abuja, incorporating modifiable and environmental covariates. To overcome the challenge of missing information, we used a Bayesian approach with expert-solicited prior information to jointly model missing covariate data and the additive effects of the covariates on the predicted probability of human death after rabies virus exposure. Only 1155 cases of dog bites were recorded throughout the study period, out of which 4.2% (N = 49) died of rabies. The odds for risk of human death were predicted to decrease among individuals who were bitten by owned dogs compared to those bitten by free-roaming dogs. Similarly, there was a predicted decrease in the probability of human death among victims bitten by vaccinated dogs compared to those bitten by unvaccinated dogs. The odds for the risk of human death after bitten individuals received rabies prophylaxis were predicted to decrease compared to no prophylaxis. We demonstrate the practical application of a regularised Bayesian approach to model sparse dog bite surveillance data to uncover risk factors for human rabies, with broader applications in other endemic rabies settings with similar profiles. The low reporting observed in this study underscores the need for community engagement and investment in surveillance to increase data availability. Better data on bite cases will help to estimate the burden of rabies in Nigeria and would be important to plan effective prevention and control of this disease.
Fabrication of subwavelength holes using nanoimprint lithography (2013)

Driven by the demand of miniaturized and highly integrated functionalities in the area of photonics and photonic circuits, the metal or plasmon optics has become a promising method for manipulating light at the nanometer scale. Especially the application of periodic sub wavelength hole structures within an opaque metal film on a dielectric substrate holds many advantages for the realization of optical filters, since the variation of the hole diameter and the periodicity allows a selective filter response. This paper is concerned with the modeling, fabrication and characterization of a sub wavelength hole array for surface plasmon enhanced transmission of light [1]. The theoretical backgrounds as well as the basics of the simulation by Finite-Difference Time-Domain (FDTD) are described for the target structure with a hole diameter of 180 nm and a periodicity of 400 nm. By using a double-molding technology via nanoimprint lithography the fabrication of this sub wavelength hole array with a peak wavelength of 470 nm and full width at half maximum of 50 nm from a silicon nanopillar master is demonstrated. In order to ensure the dimensional stability of the molded structures, characterization was consequently done by means of a self made non-contact mode atomic force microscope.
Fucosylated Chondroitin Sulfates from the Body Wall of the Sea Cucumber Holothuria forskali (2014)

Fucosylated chondroitin sulfate (fCS) extracted from the sea cucumber Holothuria forskali is composed of the following repeating trisaccharide unit: → 3)GalNAcβ4,6S(1 → 4) [FucαX(1 → 3)]GlcAβ(1 →, where X stands for different sulfation patterns of fucose (X = 3,4S (46%), 2,4S (39%), and 4S (15%)). As revealed by NMR and molecular dynamics simulations, the fCS repeating unit adopts a conformation similar to that of the Le(x) blood group determinant, bringing several sulfate groups into close proximity and creating large negative patches distributed along the helical skeleton of the CS backbone. This may explain the high affinity of fCS oligosaccharides for L- and P-selectins as determined by microarray binding of fCS oligosaccharides prepared by Cu(2+)-catalyzed Fenton-type and photochemical depolymerization. No binding to E-selectin was observed. fCS poly- and oligosaccharides display low cytotoxicity in vitro, inhibit human neutrophil elastase activity, and inhibit the migration of neutrophils through an endothelial cell layer in vitro. Although the polysaccharide showed some anti-coagulant activity, small oligosaccharide fCS fragments had much reduced anticoagulant properties, with activity mainly via heparin cofactor II. The fCS polysaccharides showed prekallikrein activation comparable with dextran sulfate, whereas the fCS oligosaccharides caused almost no effect. The H. forskali fCS oligosaccharides were also tested in a mouse peritoneal inflammation model, where they caused a reduction in neutrophil infiltration. Overall, the data presented support the action of fCS as an inhibitor of selectin interactions, which play vital roles in inflammation and metastasis progression. Future studies of fCS-selectin interaction using fCS fragments or their mimetics may open new avenues for therapeutic intervention.
Advanced Sensors and Controls for Building Applications: Market Assessment and Potential R&amp;D Pathways (2005)

Significant energy savings can be achieved in commercial building operation, along with increased comfort and control for occupants, through the implementation of advanced technologies. This document provides a market assessment of existing building sensors and controls and presents a range of technology pathways (R&D options) for pursuing advanced sensors and building control strategies. This paper is actually a synthesis of five other white papers: the first describes the market assessment including estimates of market potential and energy savings for sensors and control strategies currently on the market as well as a discussion of market barriers to these technologies. The other four cover technology pathways: (1) current applications and strategies for new applications, (2) sensors and controls, (3) networking, security, and protocols and standards, and (4) automated diagnostics, performance monitoring, commissioning, optimal control and tools. Each technology pathway chapter gives an overview of the technology or application. This is followed by a discussion of needs and the current status of the technology. Finally, a series of research topics is proposed.
Clinical characteristics, visceral involvement, and mortality in at-risk or early diffuse systemic sclerosis: a longitudinal analysis of an observational prospective multicenter US cohort (2021)

This US cohort highlights the management of early SSc in the current era, demonstrating progression of skin and lung involvement despite immunosuppressive therapy and high mortality due to cardiac involvement.