gebhart/patrepeval huggingface dataset:
Complete description of molecular photoionization from circular dichroism of rotationally resolved photoelectron angular distributions (1992)

The photoionization process NO ${\mathit{A}}^{2}$${\mathrm{\ensuremath{\Sigma}}}^{+}$(v=0, N=22)\ensuremath{\rightarrow}${\mathrm{NO}}^{+}$ ${\mathrm{X}}^{1}$${\mathrm{\ensuremath{\Sigma}}}^{+}$(${\mathit{v}}^{+}$=0, ${\mathit{N}}^{+}$)+${\mathit{e}}^{\mathrm{\ensuremath{-}}}$ is studied with sufficient energy resolution that the photoelectron angular distributions associated with individual rotational levels ${\mathit{N}}^{+}$ of the ion are determined. By ionizing with left and right circularly polarized light and observing the change in the rotationally resolved photoelectron angular distributions, we can deduce all dynamical information, including the signs of the relative phase shifts of the photoelectron partial waves. This information constitutes the first complete description of the photoionization of a molecule.
Abstract LB-386: The NuRD complex cooperates with DNMTs to maintain silencing of colorectal tumor suppressor genes. (2012)

Abstract Many Tumor Suppressor Genes (TSGs) are silenced through synergistic layers of epigenetic regulation including abnormal DNA hypermethylation of promoter CpG islands, repressive chromatin modifications and enhanced nucleosome deposition over transcription start sites. Many of the protein complexes responsible for silencing of such TSGs remain to be identified. A subset of silenced TSGs controlling key regulatory signaling pathways in colorectal cancer cells can be partially reactivated by in cells disrupted for the DNA methyltransferase 1 and 3B (DNMT1 and 3B) or by DNMT inhibitors (DNMTi). Herein, we used proteomic and functional genomic approaches to identify additional proteins that cooperate with DNMTs in silencing these key silenced TSGs in colon cancer cells. We discovered that DNMTs and the core components of the NuRD nucleosome remodeling complex, chromo domain helicase DNA-binding protein 4 (CHD4), histone deacetylases 1 and 2 (HDAC1 and 2), occupy the promoters of several of these key hypermethylated TSGs and physically and functionally interact to maintain their silencing. Consistent with this, we find an inverse relationship between expression of HDAC1 and 2 and these TSGs in a large panel of primary colorectal tumors. We demonstrate that this DNMT-NuRD complex maintains the silencing of several negative regulators of the WNT signaling pathway. We find that depletion of CHD4 is synthetic lethal with DNMT inhibition in correlation with reactivation of TSGs, suggesting that their combined inhibition may be beneficial for the treatment of colon cancer. Citation Format: {Authors}. {Abstract title} [abstract]. In: Proceedings of the 103rd Annual Meeting of the American Association for Cancer Research; 2012 Mar 31-Apr 4; Chicago, IL. Philadelphia (PA): AACR; Cancer Res 2012;72(8 Suppl):Abstract nr LB-386. doi:1538-7445.AM2012-LB-386
High harmonic generation driven by quantum light (2022)

High harmonic generation (HHG) is an extreme nonlinear process where intense pulses of light drive matter to emit high harmonics of the driving frequency, reaching the extreme ultraviolet (XUV) and x-ray spectral ranges. So far, the HHG process was always generated by intense laser pulses that are well described as a classical electromagnetic field. Advances in the generation of intense squeezed light motivate us to revisit the fundamentals of HHG and ask how the photon statistics of light may alter this process, and more generally alter the field of extreme nonlinear optics. The role of photon statistics in non-perturbative interactions of intense light with matter has remained unexplored in both experiments and theory. Here we show that the defining spectral characteristics of HHG, such as the plateau and cutoff, are sensitive to the photon statistics of the driving light. While coherent (classical) and Fock light states induce the established HHG cutoff law, thermal and squeezed states substantially surpass it, extending the cutoff compared to classical light of the same intensity. Hence, shaping the photon statistics of light enables producing far higher harmonics in HHG. We develop the theory of extreme nonlinear optics driven by squeezed light, and more generally by arbitrary quantum states of light. Our work introduces quantum optical concepts to strong-field physics as new degrees of freedom in the creation and control of HHG, and finally shows that experiments in this field are feasible. Looking forward, HHG driven by quantum light creates quantum states of XUV and X-rays, enabling applications of quantum optics in new spectral regimes.
Fast analytical approximation for arbitrary geometries in diffuse optical tomography (2002)

Diffuse optical tomography is a novel imaging technique that resolves and quantifies the optical properties of objects buried in turbid media. Typically, numerical solutions of the diffusion equation are employed to construct the tomographic problem when media of complex geometries are investigated. Numerical methods offer implementation simplicity but also significant computation burden, especially when large three-dimensional reconstructions are involved. We present an alternative method of performing tomography of diffuse media of arbitrary geometries by means of an analytical approach, the Kirchhoff approximation. We show that the method is extremely efficient in computation times and consider its potential as a real-time three-dimensional imaging tool.
ChemInform Abstract: Addition of Amines and Halogens to Fullerenes C60 and C70. (1992)

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.
DNA-Encoded Glutamine Synthetase Enzyme as Ammonia-Lowering Therapeutic for Hyperammonemia (2020)

Hyperammonemia is a dangerous life-threatening metabolic complication characterized by markedly elevated ammonia levels that can lead to irreversible brain damage if not carefully monitored. Current pharmacological treatment strategies available for hyperammonemia patients are suboptimal and associated with major side effects. In this study, we focus on developing and evaluating the <i>in vivo</i> delivery of novel DNA-encoded glutamine synthetase (GS) enzymes for the treatment of hyperammonemia. Direct <i>in vivo</i> delivered DNA-encoded GS enzyme was evaluated in ammonium acetate-induced hyperammonemia and thioacetamide-induced acute liver injury (ALI) models in C57BL/6 mice. In ammonium acetate-induced hyperammonemia model, we achieved a 30.5% decrease in blood ammonia levels 15 min postadministration of ammonium acetate, with DNA-encoded GS-treated group. Significant increase in survival was observed in ALI model with the treated mice. A comparison of the secreted versus intracellular DNA-encoded GS enzyme demonstrated similar increases in survival in the ALI model, with 40% mortality in the secreted enzymes and 30% mortality in the intracellular enzymes, as compared with 90% mortality in the control group. Direct <i>in vivo</i> delivery of DNA-encoded GS demonstrated important ammonia-lowering potential. These results provide the initial steps toward development of delivered DNA as a potential new approach to ammonia-lowering therapeutics.
Synthesis, X-ray characterization and DFT studies of N-benzimidazolyl-pyrimidine–M(ii) complexes (M = Cu, Co and Ni): the prominent role of π-hole and anion–π interactions (2015)

Five Cu(<sc>ii</sc>), Co(<sc>ii</sc>) and Ni(<sc>ii</sc>) complexes with 2-(<italic>N</italic>-benzimidazolyl)-pyrimidine and nitrate co-ligands have been synthesized and characterized by X-ray diffraction.
Discovery of Two‐dimensional Hexagonal MBene HfBO and Exploration on its Potential for Lithium‐Ion Storage (2023)

The practical applications of two-dimensional (2D) transition-metal borides (MBenes) have been severely hindered by the lack of accessible MBenes because of the difficulties in the selective etching of traditional ternary MAB phases with orthorhombic symmetry (ort-MAB). Here, we discover a family of ternary hexagonal MAB (h-MAB) phases and 2D hexagonal MBenes (h-MBenes) by ab initio predictions and experiments. Calculations suggest that the ternary h-MAB phases are more suitable precursors for MBenes than the ort-MAB phases. Based on the prediction, we report the experimental synthesis of h-MBene HfBO by selective removal of In from h-MAB Hf<sub>2</sub> InB<sub>2</sub> . The synthesized 2D HfBO delivered a specific capacity of 420 mAh g<sup>-1</sup> as an anode material in lithium-ion batteries, demonstrating the potential for energy-storage applications. The discovery of this h-MBene HfBO added a new member to the growing family of 2D materials and provided opportunities for a wide range of novel applications.
The cytotoxic T-lymphocyte response against a poorly immunogenic mammary adenocarcinoma is focused on a single immunodominant class I epitope derived from the gp70 Env product of an endogenous retrovirus. (2003)

The TS/A mouse mammary adenocarcinoma is a poorly immunogenic tumor widely used in preclinical models of cancer immunotherapy. CTLs have often been indicated as important in TS/A tumor destruction, but their generation in this model has been rarely studied, nor have their precise target(s) been identified. We hypothesized that the gp70 Env product of an endogenous murine leukemia virus could be a target antigen for TS/A-specific CTLs and investigated this possibility in four different TS/A cell lines engineered with the genes that encode IFN-alpha, IFN-gamma, interleukin-4, and B7.1, respectively. All tumor cell lines expressed gp70, albeit at different levels, as demonstrated by reverse transcription-PCR analysis. Transfected tumor cells exhibited a delayed growth in vivo, and partial tumor regression. Spleen cells from mice that displayed tumor regression had high percentages of CD8(+) T cells that were specifically stained with L(d) tetramers loaded with gp70(423-431), the antigenic epitope of gp70 protein. Mixed leukocyte-peptide and mixed leukocyte-tumor cultures, set up by stimulating splenocytes with the immunogenic peptide and with transfected TS/A tumor cells, respectively, resulted in similar large increases in tetramer-reactive CD8(+) T cells and showed high lytic activity specific for gp70(423-431). Finally, in a Cold Target Inhibition assay, lytic activity of a mixed leukocyte-tumor culture was inhibited in an overlapping fashion by both the TS/A line used for restimulation and 293L(d) cells loaded with gp70(423-431) peptide, but not by 293L(d) cells pulsed with an irrelevant H-2 L(d) epitope, thus demonstrating that all or most of the cytotoxic activity was directed exclusively against this antigenic epitope.
Stereospecific hydrolysis of alkyl esters by antibodies (1989)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTStereospecific hydrolysis of alkyl esters by antibodiesScott J. Pollack, Paul Hsiun, and Peter G. SchultzCite this: J. Am. Chem. Soc. 1989, 111, 15, 5961–5962Publication Date (Print):July 1, 1989Publication History Published online1 May 2002Published inissue 1 July 1989https://pubs.acs.org/doi/10.1021/ja00197a078https://doi.org/10.1021/ja00197a078research-articleACS PublicationsRequest reuse permissionsArticle Views358Altmetric-Citations98LEARN 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-AlertscloseSupporting Info (1)»Supporting Information Supporting Information Get e-Alerts
Physical Vapor Deposition of One-Dimensional Nanoparticle Arrays on Graphite:  Seeding the Electrodeposition of Gold Nanowires (2007)

One-dimensional (1D) ensembles of 2-15 nm diameter gold nanoparticles were prepared using physical vapor deposition (PVD) on highly oriented pyrolytic graphite (HOPG) basal plane surfaces. These 1D Au nanoparticle ensembles (NPEs) were prepared by depositing gold (0.2-0.6 nm/s) at an equivalent thickness of 3-4 nm onto HOPG surfaces at 670-690 K. Under these conditions, vapor-deposited gold nucleated selectively at the linear step edge defects present on these HOPG surfaces with virtually no nucleation of gold particles on terraces. The number density of 2-15 nm diameter gold particles at step edges was 30-40 microm-1. These 1D NPEs were up to a millimeter in length and organized into parallel arrays on the HOPG surface, following the organization of step edges. Surprisingly, the deposition of more gold by PVD did not lead to the formation of continuous gold nanowires at step edges under the range of sample temperature or deposition flux we have investigated. Instead, these 1D Au NPEs were used as nucleation templates for the preparation by electrodeposition of gold nanowires. The electrodeposition of gold occurred selectively on PVD gold nanoparticles over the potential range from 700-640 mV vs SCE, and after optimization of the electrodeposition parameters continuous gold nanowires as small as 80-90 nm in diameter and several micrometers in length were obtained.
ChemInform Abstract: A General Method for the Preparation of Zirconocene Complexes of Substituted Benzynes: in situ Generation, Coupling Reactions, and Use in the Synthesis of Polyfunctionalized Aromatic Compounds. (1988)

Abstract A general method for the in situ production of zirconocene complexes of substituted benzynes such as (III) is reported.
Paul Ion Trap (2016)

This document contains recommendations for terminology in mass spectrometry. Development of standard terms dates back to 1974 when the IUPAC Commission on Analytical Nomenclature issued recommendations on mass spectrometry terms and definitions. In 1978, the IUPAC Commission on Molecular Structure and Spectroscopy updated and extended the recommendations and made further recommendations regarding symbols, acronyms, and abbreviations. The IUPAC Physical Chemistry Division Commission on Molecular Structure and Spectroscopy’s Subcommittee on Mass Spectroscopy revised the recommended terms in 1991 and appended terms relating to vacuum technology. Some additional terms related to tandem mass spectrometry were added in 1993 and accelerator mass spectrometry in 1994. Owing to the rapid expansion of the field in the intervening years, particularly in mass spectrometry of biomolecules, a further revision of the recommendations has become necessary. This document contains a comprehensive revision of mass spectrometry terminology that represents the current consensus of the mass spectrometry community.
Analytical Methods for the Determination of Neuroactive Steroids (2021)

Neuroactive steroids are a family of all steroid-based compounds, of both natural and synthetic origin, which can affect the nervous system functions. Their biosynthesis occurs directly in the nervous system (so-called neurosteroids) or in peripheral endocrine tissues (hormonal steroids). Steroid hormone levels may fluctuate due to physiological changes during life and various pathological conditions affecting individuals. A deeper understanding of neuroactive steroids' production, in addition to reliable monitoring of their levels in various biological matrices, may be useful in the prevention, diagnosis, monitoring, and treatment of some neurodegenerative and psychiatric diseases. The aim of this review is to highlight the most relevant methods currently available for analysis of neuroactive steroids, with an emphasis on immunoanalytical methods and gas, or liquid chromatography combined with mass spectrometry.
Multiple States of β-Sheet Peptide Protegrin in Lipid Bilayers (1998)

Protegrin-1 (PG-1), a beta-sheet antimicrobial peptide, was studied in aligned lipid bilayers by oriented circular dichroism (OCD). All of its spectra measured in a variety of lipid compositions were linear superpositions of two primary basis spectra, indicating that PG-1 existed in two different states in membranes. We designated these as state S and state I. The state assumed by PG-1 was strongly influenced by lipid composition, peptide concentration, and hydration condition. We have previously reported that the helical peptides, alamethicin and magainin, also exhibit two distinct OCD basis spectra-one corresponding to surface adsorption with the helix parallel to the bilayer and the other with perpendicular transbilayer insertion. States S and I of PG-1 may correspond to the surface state and the insertion state of alamethicin, since they show a similar dependence on lipid composition, peptide concentration, and hydration condition. Nonoriented CD spectra obtained from vesicle, micelle, and solution preparations are not linear superpositions of the basis spectra of the states S and I. This indicates that a molecular orientation change alone is insufficient to describe the S left and right arrow I transition. Rather, a more complicated process is taking place, perhaps involving a change in the hydrogen bonding pattern of the backbone. Although the structural basis of the OCD spectra remains to be determined, the discovery of two distinct states can provide information about dynamic changes of PG-1 in membranelike environments, properties undoubtedly related to its antimicrobial and cytotoxic effects.
Antigen-induced T cell-replacing factor (TRF). I. Functional characterization of a TRF-producing helper T cell subset and genetic studies on TRF production. (1980)

Abstract Functional properties of TRF-producing helper T cells and genetic basis for the production of antigen-induced TRF were studied. We presented evidence that two distinct types of PPD-reactive helper T cells were induced in the mouse by immunization with Mycobacterium tuberculosis (Tbc). The first type of helper T cell (The) developed as early as 7 days after priming and collaborated with dinitrophenyl- (DNP) primed B cells when the haptenic (DNP) and carrier (PPD) determinants were present on the same molecule (cognate interaction). The second type of helper T cell (Thf) developed after 4 weeks priming, and augmented the B cell response to hapten conjugated with a heterologous carrier when simultaneously stimulated with unconjugated relevant carrier, PPD (factor mediated). Both types of helper T cells belonged to the Lyt-1+, 2-, 3- subclass. The The activity was resistant to anti-la antiserum plus C treatment, whereas the Thf activity was abrogated by anti-la anti-sera and C treatment. The Thf produced T cell-replacing factor(s) (TRF) after stimulation with PPD in vitro, and the TRF once released from helper T cells acted on allogeneic as well as syngeneic B cells. Thus, TRF was active in relation to the B cells across the major histocompatibility complex-(MHC) barrier, but TRF production from helper T cells was successfully triggered only by the H-2-compatible PPD-pulsed antigen-presenting cells. In this situation, however, the antigen-presenting cells from C3H/HeJ, which is a low responder strain to PPD, failed to present PPD to (C3H/HeN X BALB/c)F1 Tbc-primed Thf, sharply contrasted with the potent presenting activities of PPD-pulsed accessory cells from H-2-compatible C3H/HeN and BALB.K mice. Thus, the gene(s) that is defective in C3H/HeJ but present in C3H/HeN governs the PPD-presenting activity of accessory cells in the MHC-re-stricted TRF-production in antigen-induced T-B cell interactions.
Impact of centralized diagnostic review on quality of initial staging in Hodgkin lymphoma: experience of the German Hodgkin Study Group (2015)

Accurate clinical staging is crucial for adequate risk-adapted treatment in Hodgkin lymphoma (HL) to prevent patients from under- or over-treatment. Within the latest German Hodgkin Study Group trial generation, diagnostic findings such as histopathology, computerized tomography imaging and clinical risk factors were re-evaluated by expert panels. Here, we retrospectively analysed 5965 patients and identified 399 in who major discordant findings changed their first-line treatment allocation. Histopathology review did not confirm the initial diagnosis of HL in 87 patients. Treatment allocation was revised in 312 of the remaining 5878 patients: 176 were assigned to a higher and 128 to a lower risk group, respectively; the correct treatment group remained unclear in 8 patients. Cases of revised treatment allocation accounted for 9·8%, 6·0%, 0·8%, and 14·8% of patients initially assigned to the HD13, HD14, HD15 trials and stage IA lymphocyte-predominant HL project, respectively. Most revisions were due to wrong application of clinical stage (20·5% of 312 patients with revised treatment group), histological subtype (9·0%) or the risk factors ≥3 involved areas (46·8%) or large mediastinal mass (9·3%). In conclusion, centralized review by experienced experts changed risk-adapted first-line treatment in a relevant proportion of HL patients. Quality control measures clearly improve the accuracy of treatment and should be implemented in clinical practice.
Macro- and Microvascular Parameters After Toxic Shock Syndrome (2017)

Whether individuals who had toxic shock syndrome in childhood have differences in macro- and retinal microvascular parameters indicative of increased cardiovascular risk is unknown. We found no evidence of adverse macrovascular changes in 22 toxic shock syndrome participants compared with 60 control participants. Microvascular comparisons showed a reduction in retinal total fractal dimension, which has been associated with cardiovascular risk factors in children.