gebhart/patrepeval huggingface dataset:
A 2-Pyridone Photo-[4 + 4] Approach to the Taxanes (1996)

Pyridones tethered by a four-carbon chain at the 3- and 6’-positions can undergo [4 + 4] photocycloaddition to simultaneously form three, but not four, tetrasubstituted carbons. In a study directed at the taxanes, photocycloaddition of 28 was found to be fully controlled by a (tert-butyldimethylsilyl)oxy group on the tether, to give a photoproduct with five stereogenic centers and both quaternary carbons found in taxol (paclitaxel). This photoproduct proved to be unstable to silica gel, but saturation of one alkene gave a stable product (30). Epoxidation of the enol ether of 30 proceeds exclusively from one face of the cyclooctene ring, demonstrating the facial bias of the polycyclic system and correctly introducing the C-2 stereogenic center of taxol. As part of this study, 4-methoxy-2-pyridones, known to be inert to [4 + 4] photodimerization, were found to undergo [4 + 4] photocycloaddition with 4-unsubstituted-2-pyridones both inter- and intramolecularly.
Bismuth Oxide-Based Semiconductor Gas Sensor for Nitrogen Monoxide (1998)

A search for semiconducting oxides was carried out to design a sensor selective to NO over NO2. Bi203 was very selective to NO though not very sensitive among the various oxides examined, and NiO was proved to be the most effective promoter to Bi203 for enhancing NO sensitivity. The sensor element using 5wt%NiO-Bi2O3 showed fairly good sensing properties to NO in the range of 0-400ppm in sensitivity, selectivity over NO2 and response rate, at 300°C. The cross-sensitivities to C3H6, C3H8, H2 and O2 were modest or insignificant, compared to the sensitivity to NO. Catalytic activity tests and TPD measurements indicated that the response to NO (increase in resistance) was associated with its reaction with the surface oxygen of the element, while that to NO2 (decrease in resistance) resulted from its anionic adsorption.
A-SSCC 2022 Continues Its Success With Its Hybrid Format, With a Record 594 Registrants: New ACE Program and “Start-Up!” Session Launched [Conference Reports] (2023)

Provides society information that may include news, reviews or technical notes that should be of interest to practitioners and researchers.
Plerixafor Plus Granulocyte Colony-Stimulating Factor versus Placebo Plus Granulocyte Colony-Stimulating Factor for Mobilization of CD34+ Hematopoietic Stem Cells in Patients with Multiple Myeloma and Low Peripheral Blood CD34+ Cell Count: Results of a Subset Analysis of a Randomized Trial (2012)

Preapheresis peripheral blood (PB) CD34(+) cell count is a strong predictor of hematopoietic stem cell (HSC) mobilization and is routinely used to optimize the timing, cost, and success of HSC collection in patients with multiple myeloma. However, a uniform PB CD34(+) cell count that predicts mobilization failure has not been defined, resulting in the development of institute-specific algorithms for mobilization, particularly regarding the decision of when to use the novel stem cell mobilization agent plerixafor. In this post hoc analysis, we evaluated the mobilization efficacy of plerixafor plus granulocyte colony-stimulating factor (G-CSF) versus placebo plus G-CSF in patients with multiple myeloma, stratified by preapheresis PB CD34(+) cell count: <10, <15, <20, and ≥20 cells/μL. Regardless of the PB CD34(+) cell count, the total yield of CD34(+) cells from apheresis was significantly higher in the plerixafor group than in the placebo group, and significantly more patients in the plerixafor group collected the minimum (≥2 × 10(6) cells/kg) and optimum (≥6 × 10(6) cells/kg) stem cell yields on each day of apheresis. As a corollary, the greater stem cell collection in plerixafor-treated patients resulted in the need for significantly fewer days of apheresis to reach minimum and optimum cell doses across all cell count groups. For all CD34(+) cell count groups, the proportion of patients proceeding to transplantation and the median time to platelet and neutrophil engraftment were similar in the plerixafor and placebo groups. Our findings demonstrate that in patients with multiple myeloma who might be predicted to fail mobilization based on low PB CD34(+) cell count, the addition of plerixafor to G-CSF allows for collection of the minimal and optimal cell doses in a greater proportion of patients compared with G-CSF alone. In addition, plerixafor plus G-CSF significantly improves the likelihood of optimal HSC collection in patients with higher preapheresis PB CD34(+) cell counts (≥20 cells/μL) compared with placebo plus G-CSF. Collectively, this analysis of predicted poor mobilizers validates the superiority of plerixafor plus G-CSF compared with G-CSF alone, which had been demonstrated previously in the overall patient population.
Toward a clinical real time tissue ablation technology: combining electroporation and electrolysis (E2) (2020)

Histological results show that a single several hundred millisecond long E2 waveform can ablate large volume of tissue at relatively low voltages while preserving the integrity of large blood vessels and lumen structures in the ablation zone without the use of chemotoxic drugs or paralyzing drugs during anesthesia. This could translate clinically into much shorter treatment times and ease of use compared to other techniques that are currently applied.
ChemInform Abstract: Diethoxymethyl: A Useful Nitrogen‐Protecting Group for Lactams and Amides. (1995)

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.
Continuous-wave infrared optical nerve stimulation for potential diagnostic applications (2010)

Optical nerve stimulation using infrared laser radiation has recently been developed as a potential alternative to electrical nerve stimulation. However, recent studies have focused primarily on pulsed delivery of the laser radiation and at relatively low pulse rates. The objective of this study is to demonstrate faster optical stimulation of the prostate cavernous nerves using continuous-wave (cw) infrared laser radiation for potential diagnostic applications. A thulium fiber laser (λ=1870 nm) is used for noncontact optical stimulation of the rat prostate cavernous nerves in vivo. Optical nerve stimulation, as measured by an intracavernous pressure (ICP) response in the penis, is achieved with the laser operating in either cw mode, or with a 5-ms pulse duration at 10, 20, 30, 40, 50, and 100 Hz. Successful optical stimulation is observed to be primarily dependent on a threshold nerve temperature (42 to 45 °C), rather than an incident fluence, as previously reported. cw optical nerve stimulation provides a significantly faster ICP response time using a lower power (and also less expensive) laser than pulsed stimulation. cw optical nerve stimulation may therefore represent an alternative mode of stimulation for intraoperative diagnostic applications where a rapid response is critical, such as identification of the cavernous nerves during prostate cancer surgery.
Comparison of Nasal Epithelial Smoking‐Induced Gene Expression on Affymetrix Exon 1.0 and Gene 1.0 ST Arrays (2013)

We have previously defined the impact of tobacco smoking on nasal epithelium gene expression using Affymetrix Exon 1.0 ST arrays. In this paper, we compared the performance of the Affymetrix GeneChip Human Gene 1.0 ST array with the Human Exon 1.0 ST array for detecting nasal smoking-related gene expression changes. RNA collected from the nasal epithelium of five current smokers and five never smokers was hybridized to both arrays. While the intersample correlation within each array platform was relatively higher in the Gene array than that in the Exon array, the majority of the genes most changed by smoking were tightly correlated between platforms. Although neither array dataset was powered to detect differentially expressed genes (DEGs) at a false discovery rate (FDR)<0.05, we identified more DEGs than expected by chance using the Gene ST array. These findings suggest that while both platforms show a high degree of correlation for detecting smoking-induced differential gene expression changes, the Gene ST array may be a more cost-effective platform in a clinical setting for gene-level genomewide expression profiling and an effective tool for exploring the host response to cigarette smoking and other inhaled toxins.
Classical analog of the Unruh effect (2018)

In the Unruh effect an observer with constant acceleration perceives the quantum vacuum as thermal radiation. The Unruh effect has been believed to be a pure quantum phenomenon, but here we show theoretically how the effect arises from the correlation of noise, regardless of whether this noise is quantum or classical. We demonstrate this idea with a simple experiment on water waves where we see the first indications of a Planck spectrum in the correlation energy.
A Low-Order HCCI Model Extended to Capture SI-HCCI Mode Transition Data With Two-Stage Cam Switching (2014)

A low-order homogeneous charge compression ignition (HCCI) combustion model to support model-based control development for spark ignition (SI)/HCCI mode transitions is presented. Emphasis is placed on mode transition strategies wherein SI combustion is abruptly switched to recompression HCCI combustion through a change of the cam lift and opening of the throttle, as is often employed in studies utilizing two-stage cam switching devices. The model is parameterized to a steady-state dataset which considers throttled operation and significant air-fuel ratio variation, which are pertinent conditions to two-stage cam switching mode transition strategies. Inspection and simulation of transient SI to HCCI (SI-HCCI) mode transition data shows that the extreme conditions present when switching from SI to HCCI can cause significant prediction error in the combustion performance outputs even with the model’s adequate steady-state fit. When a correction factor related to residual gas temperature is introduced to account for these extreme conditions, it is shown that the model reproduces transient performance output time histories in SI-HCCI mode transition data. The model is thus able to capture steady-state data as well as transient SI-HCCI mode transition data while maintaining a low-order cycle to cycle structure, making it tractable for model-based control of SI-HCCI mode transitions.
Protein farnesyltransferase: Flexible docking studies on inhibitors using computational modeling (2005)

3959 Using MacroModel, peptide, peptidomimetic and non-peptidomimetic inhibitors of the zinc metalloenzyme, farnesyltransferase, were docked into the enzyme binding site. In addition to CVFM and CVIM, as well as our own inhibitors FTI-276 and FTI-2148, we have docked other FTIs including Zarnestra which presently is in advanced clinical trials. The AMBER* force field was employed augmented with parameters that were derived for zinc. The single binding site model that was derived from the crystal structure for CVFM was used for these studies and it incorporated farnesyl pyrophosphate. In cases where the crystal structure of the ternary complex is known, the docking results, using the global minimum energy structure or one of the lowest energy structures, were in excellent agreement with the x-ray structures. Among the most important findings of this study is that numerous alternative conformations for the methionine side chain can be accommodated by the enzyme indicating that the methionine pocket can tolerate groups larger than methionine at the C-terminus of the tetrapeptide.
"You share coffee, you share cases": the professional experience of safeguarding in universal praxis (2016)

This book revisits key social issues and controversies in education. There are many social issues currently on political and governmental agendas, both in the UK and other countries – from safeguarding, childhood obesity, bullying and mental health, through to widening participation. Some of these issues relate to children and young people and are of concern to those working and researching in education, while others relate to Higher Education. The boundaries between the academic disciplines of politics, sociology, economics, psychology and education are porous. The contributions here illustrate how common interests and collaboration can assist in our understanding of complex social issues, the evaluation of current governmental responses, and the promotion of ideas about the way forward into the 21st century.
Brief Report (1994)

We investigated the possible relationship between schizophrenia, neuroleptic treatment, and platelet monoamine oxidase (MAO) activity. Platelet MAO activity was similar in neuroleptic-naive schizophrenic patients and healthy controls and was not affected by chronic (10-week) perphenazine treatment. A relationship between platelet MAO activity and central disturbances in schizophrenia remains uncertain.
Ultrasound responsive carbon monoxide releasing micelle (2020)

Carbon monoxide (CO), an endogenously produced gasotransmitter, has shown various therapeutic effects in previous studies. In this work, we developed an ultrasound responsive micelle for localized CO delivery. The micelle is composed of a pluronic shell and a core of a CO releasing molecule, CORM-2. The mechanism is based on the ultrasound response of pluronics, and the reaction between CORM-2 and certain biomolecules, e.g. cysteine. The latter allows CO release without significantly breaking the micelles. In a 3.5 mM cysteine solution, the micelles released low level of CO, indicating effective encapsulation of CORM-2. Treatment with a low intensity, non-focused ultrasound led to four times as much CO as the sample without ultrasonication, which is close to that of unencapsulated CORM-2. Significantly reduced proliferation of prostate cancer cells (PC-3) was observed 24 h after the PC-3 cells were treated with the CORM-2 micelles followed by ultrasound activation.
Trace aerosol detection and identification by dynamic photoacoustic spectroscopy (2014)

Dynamic photoacoustic spectroscopy (DPAS) is a high sensitivity technique for standoff detection of trace vapors. A field-portable DPAS system has potential as an early warning provider for gaseous-based chemical threats. For the first time, we utilize DPAS to successfully detect the presence of trace aerosols. Aerosol identification via long-wavelength infrared (LWIR) spectra is demonstrated. We estimate the sensitivity of our DPAS system to aerosols comprised of silica particles is comparable to that of SF(6) gas based on a signal level per absorbance unit metric for the two materials. The implications of these measurements are discussed.
Potent Killing of Pseudomonas aeruginosa by an Antibody-Antibiotic Conjugate (2021)

Pseudomonas aeruginosa causes life-threatening infections that are associated with antibiotic failure. Previously, we identified the antibiotic G2637, an analog of arylomycin, targeting bacterial type I signal peptidase, which has moderate potency against P. aeruginosa. We hypothesized that an antibody-antibiotic conjugate (AAC) could increase its activity by colocalizing P. aeruginosa bacteria with high local concentrations of G2637 antibiotic in the intracellular environment of phagocytes. Using a novel technology of screening for hybridomas recognizing intact bacteria, we identified monoclonal antibody 26F8, which binds to lipopolysaccharide O antigen on the surface of P. aeruginosa bacteria. This antibody was engineered to contain 6 cysteines and was conjugated to the G2637 antibiotic via a lysosomal cathepsin-cleavable linker, yielding a drug-to-antibody ratio of approximately 6. The resulting AAC delivered a high intracellular concentration of free G2637 upon phagocytosis of AAC-bound P. aeruginosa by macrophages, and potently cleared viable P. aeruginosa bacteria intracellularly. The molar concentration of AAC-associated G2637 antibiotic that resulted in elimination of bacteria inside macrophages was approximately 2 orders of magnitude lower than the concentration of free G2637 required to eliminate extracellular bacteria. This study demonstrates that an anti-P. aeruginosa AAC can locally concentrate antibiotic and kill P. aeruginosa inside phagocytes, providing additional therapeutic options for antibiotics that are moderately active or have an unfavorable pharmacokinetics or toxicity profile. <b>IMPORTANCE</b> Antibiotic treatment of life-threatening P. aeruginosa infections is associated with low clinical success, despite the availability of antibiotics that are active in standard microbiological <i>in vitro</i> assays, affirming the need for new therapeutic approaches. Antibiotics often fail in the preclinical stage due to insufficient efficacy against P. aeruginosa. One potential strategy is to enhance the local concentration of antibiotics with limited inherent anti-P. aeruginosa activity. This study presents proof of concept for an antibody-antibiotic conjugate, which releases a high local antibiotic concentration inside macrophages upon phagocytosis, resulting in potent intracellular killing of phagocytosed P. aeruginosa bacteria. This approach may provide new therapeutic options for antibiotics that are dose limited.
Rare disruptive variants in the DISC1 Interactome and Regulome: association with cognitive ability and schizophrenia (2017)

Schizophrenia (SCZ), bipolar disorder (BD) and recurrent major depressive disorder (rMDD) are common psychiatric illnesses. All have been associated with lower cognitive ability, and show evidence of genetic overlap and substantial evidence of pleiotropy with cognitive function and neuroticism. Disrupted in schizophrenia 1 (DISC1) protein directly interacts with a large set of proteins (DISC1 Interactome) that are involved in brain development and signaling. Modulation of DISC1 expression alters the expression of a circumscribed set of genes (DISC1 Regulome) that are also implicated in brain biology and disorder. Here we report targeted sequencing of 59 DISC1 Interactome genes and 154 Regulome genes in 654 psychiatric patients and 889 cognitively-phenotyped control subjects, on whom we previously reported evidence for trait association from complete sequencing of the DISC1 locus. Burden analyses of rare and singleton variants predicted to be damaging were performed for psychiatric disorders, cognitive variables and personality traits. The DISC1 Interactome and Regulome showed differential association across the phenotypes tested. After family-wise error correction across all traits (FWER<sub>across</sub>), an increased burden of singleton disruptive variants in the Regulome was associated with SCZ (FWER<sub>across</sub> P=0.0339). The burden of singleton disruptive variants in the DISC1 Interactome was associated with low cognitive ability at age 11 (FWER<sub>across</sub> P=0.0043). These results identify altered regulation of schizophrenia candidate genes by DISC1 and its core Interactome as an alternate pathway for schizophrenia risk, consistent with the emerging effects of rare copy number variants associated with intellectual disability.
Electrocarboxylation of Benzyl Halides through Redox Catalysis on the Preparative Scale (2006)

The electrocarboxylation of benzyl halides to the corresponding carboxylic acids through homogeneous charge-transfer catalysis was investigated both theoretically and experimentally to determine the influence of the operative parameters on the yield of the process and on the catalyst consumption. Theoretical considerations, based on fast kinetics of redox catalysis, were confirmed by the electrocarboxylation of 1-phenyl-1-chloroethane catalyzed by 1,3-benzenedicarboxylic acid dimethyl ester performed at a carbon cathode under different operative conditions. We obtained high yields of the target carboxylic acid and experienced a low catalyst consumption by operating with optimized [RX]bulk/[CO2]bulk and [RX]bulk/[catalyst] ratios.
Anomalous photovoltaic effect based on molecular chirality: influence of enantiomeric purity on the photocurrent response in π-conjugated ferroelectric liquid crystals (2017)

(S)- and (R)-forms of chiral π-conjugated ferroelectric liquid crystals were synthesized. The dielectric properties in the ferroelectric liquid-crystalline (FLC) phases were evaluated using the Sawyer-Tower method. Spontaneous polarization of (S)-1 reached 68 nC cm<sup>-2</sup> at 127 °C. Hole mobilities in the FLC phases estimated using the time-of-flight (TOF) method were on the order of 10<sup>-4</sup> cm<sup>2</sup> V<sup>-1</sup> s<sup>-1</sup>. Each chiral π-conjugated compound exhibited a photovoltaic effect based on spontaneous polarization without p-n or Schottky junctions. This phenomenon could be attributed to an anomalous photovoltaic (APV) effect that has been observed in ferroelectric ceramics. In addition, liquid-crystalline enantiomeric mixtures of (S)-1 and (R)-1 were prepared and the APV response under UV illumination was studied. The APV response was enhanced with an increase in enantiomeric purity and was minimized in the racemic mixture. From this result, it was concluded that the APV effect in this FLC compound originated from the molecular chirality.
Sphingosine kinase 2 is a chikungunya virus host factor co-localized with the viral replication complex (2015)

Chikungunya virus (CHIKV) is a re-emerging alphavirus which causes severe and prolonged arthralgic febrile illness. The recent global spread of the virus and lack of approved therapeutic options makes it imperative to gain greater insight into the molecular mechanisms underlying CHIKV pathogenesis, in particular host factors recruited by the virus. In the current study, we identify sphingosine kinase 2 (SK2) as a CHIKV host factor co-localized with the viral replication complex (VRC) during infection. SK2 was demonstrated to co-localize with viral RNA and nonstructural proteins. Targeted impairment of SK2 expression or function significantly inhibited CHIKV infection. Furthermore, affinity purification-mass spectrometry studies revealed that SK2 associates with a number of proteins involved in cellular gene expression specifically during viral infection, suggesting a role in replication. Collectively these results identify SK2 as a novel CHIKV host factor.
Performance evaluation for ML sequence detection in ISI channels with\n Gauss Markov Noise (2010)

Inter-symbol interference (ISI) channels with data dependent Gauss Markov\nnoise have been used to model read channels in magnetic recording and other\ndata storage systems. The Viterbi algorithm can be adapted for performing\nmaximum likelihood sequence detection in such channels. However, the problem of\nfinding an analytical upper bound on the bit error rate of the Viterbi detector\nin this case has not been fully investigated. Current techniques rely on an\nexhaustive enumeration of short error events and determine the BER using a\nunion bound. In this work, we consider a subset of the class of ISI channels\nwith data dependent Gauss-Markov noise. We derive an upper bound on the\npairwise error probability (PEP) between the transmitted bit sequence and the\ndecoded bit sequence that can be expressed as a product of functions depending\non current and previous states in the (incorrect) decoded sequence and the\n(correct) transmitted sequence. In general, the PEP is asymmetric. The average\nBER over all possible bit sequences is then determined using a pairwise state\ndiagram. Simulations results which corroborate the analysis of upper bound,\ndemonstrate that analytic bound on BER is tight in high SNR regime. In the high\nSNR regime, our proposed upper bound obviates the need for computationally\nexpensive simulation.\n