gebhart/patrepeval huggingface dataset:
Sonohydrolysis of In3+ Ions:  Formation of Needlelike Particles of Indium Hydroxide (2000)

This paper describes the formation and characterization of nanosize needle-shaped In(OH)3 particles. The In(OH)3 nanopowder was prepared via the sonication of an aqueous solution of InCl3 at room temperature and at 0 °C. At these temperatures, nonsonicated hydrolysis does not occur. The role of the ultrasound radiation and the mechanism of the reaction is discussed. The proposed mechanism is based on the sonohydrolysis of In(III) ions in the outer ring, and the liquid shell, of the collapsing bubble.
Cuticular Chemistry of the Queensland Fruit Fly Bactrocera tryoni (Froggatt) (2020)

The cuticular layer of the insect exoskeleton contains diverse compounds that serve important biological functions, including the maintenance of homeostasis by protecting against water loss, protection from injury, pathogens and insecticides, and communication. <i>Bactrocera tryoni</i> (Froggatt) is the most destructive pest of fruit production in Australia, yet there are no published accounts of this species' cuticular chemistry. We here provide a comprehensive description of <i>B. tryoni</i> cuticular chemistry. We used gas chromatography-mass spectrometry to identify and characterize compounds in hexane extracts of <i>B. tryoni</i> adults reared from larvae in naturally infested fruits. The compounds found included spiroacetals, aliphatic amides, saturated/unsaturated and methyl branched C<sub>12</sub> to C<sub>20</sub> chain esters and C<sub>29</sub> to C<sub>33</sub> normal and methyl-branched alkanes. The spiroacetals and esters were found to be specific to mature females, while the amides were found in both sexes. Normal and methyl-branched alkanes were qualitatively the same in all age and sex groups but some of the alkanes differed in amounts (as estimated from internal standard-normalized peak areas) between mature males and females, as well as between mature and immature flies. This study provides essential foundations for studies investigating the functions of cuticular chemistry in this economically important species.
Correction to “Hierarchization of USY Zeolite by NH4OH. A Postsynthetic Process Investigated by NMR and XRD” (2014)

status: Published
Driving Potency with Rotationally Stable Atropisomers: Discovery of Pyridopyrimidinedione-Carbazole Inhibitors of BTK (2020)

Bruton's tyrosine kinase (BTK) has been shown to play a key role in the pathogenesis of autoimmunity. Therefore, the inhibition of the kinase activity of BTK with a small molecule inhibitor could offer a breakthrough in the clinical treatment of many autoimmune diseases. This Letter describes the discovery of BMS-986143 through systematic structure-activity relationship (SAR) development. This compound benefits from defined chirality derived from two rotationally stable atropisomeric axes, providing a potent and selective single atropisomer with desirable efficacy and tolerability profiles.
Novel meningococcal 4CMenB vaccine antigens – prevalence and polymorphisms of the encoding genes in Neisseria gonorrhoeae (2012)

The first cross-protective Neisseria meningitidis vaccine (focus on serogroup B), the protein-based 4 component meningococcus serogroup B (4CMenB), includes the New Zealand outer membrane vesicle and three main genome-derived neisserial antigens (GNAs). These GNAs are fHbp (fused to GNA2091), NHBA (fused to GNA1030) and NadA. In this study, the prevalence and polymorphisms of the nucleotide and amino acid sequences of the 4CMenB antigens in a temporally and geographically diverse collection of N. gonorrhoeae isolates (n = 111) were investigated. All the examined GNA genes, except the nadA gene, were present in all gonococcal isolates. However, 25 isolates contained premature stop codons in the fHbp gene and/or the nhba gene, resulting in truncated proteins. Compared with the 4CMenB antigen sequences in reference strain MC58, the gonococcal strains displayed 67.0-95.4% and 60.9-94.9% identity in nucleotide sequence and amino acid sequence, respectively, in the equivalent GNA antigens. The absence of NadA, lack of universal expression of fHbp and NHBA and the uncertainty regarding the surface exposure of fHbp as well as the function of NHBA in N. gonorrhoeae will likely limit the use of the identical 4CMenB antigens in a gonococcal vaccine. However, possible cross-immunity of 4CMenB with gonococci and expression and function of the equivalent gonococcal GNAs, as well as of more appropriate GNAs for a gonococcal vaccine, need to be further examined.
Synthesis and Study of Sustainable Polymers in the Organic Chemistry Laboratory: An Inquiry-Based Experiment Exploring the Effects of Size and Composition on the Properties of Renewable Block Polymers (2016)

A discovery-based experiment highlighting the use of renewable starting materials to synthesize triblock polymers was developed and successfully implemented in our introductory organic chemistry laboratory course. Green chemistry principles applied in this experiment include the use of renewable feedstocks, minimal/green solvents, and design for degradation. Groups of students are tasked with synthesizing polymers of different compositions so that comparisons can be made of their mechanical properties. 1H NMR analysis allows estimation of the overall molecular weight and quantification of the polymer blocks incorporated. The experiment serves to share modern state-of-the art technologies in sustainable polymers and addresses the ACS Committee on Professional Training’s accreditation guidelines to include synthetic polymers and macromolecules in the chemistry curriculum.
Intratumoral Immunotherapy for Early-stage Solid Tumors (2020)

The unprecedented benefits of immunotherapy in advanced malignancies have resulted in increased interests in exploiting immune stimulatory agents in earlier-stage solid tumors in the neoadjuvant setting. However, systemic delivery of immunotherapies may cause severe immune-related side-effects and hamper the development of combination treatments. Intratumoral delivery of neoadjuvant immunotherapy provides a promising strategy in harnessing the power of immunotherapy while minimizing off-target toxicities. The direct injection of immune stimulating agents into the tumor primes the local tumor-specific immunity to generate a systemic, durable clinical response. Intratumoral immunotherapy is a highly active area of investigation resulting in a plethora of agents, for example, immune receptor agonists, non-oncolytic and oncolytic viral therapies, being tested in preclinical and clinical settings. Currently, more than 20 neoadjuvant clinical trials exploring distinct intratumoral immune stimulatory agents and their combinations are ongoing. Practical considerations, including appropriate timing and optimal local delivery of immune stimulatory agents play an important role in safety and efficacy of this approach. Here, we discuss promising approaches in drug delivery technologies and opportunity for combining intratumoral immunotherapy with other cancer treatments and summarize the recent preclinical and clinical evidences that highlighted its promise as a part of routine oncologic care.
Expanders and right-angled Artin groups (2021)

The purpose of this paper is to give a characterization of families of expander graphs via right-angled Artin groups. We prove that a sequence of simplicial graphs [Formula: see text] forms a family of expander graphs if and only if a certain natural mini-max invariant arising from the cup product in the cohomology rings of the groups [Formula: see text] agrees with the Cheeger constant of the sequence of graphs, thus allowing us to characterize expander graphs via cohomology. This result is proved in the more general framework of vector space expanders, a novel structure consisting of sequences of vector spaces equipped with vector-space-valued bilinear pairings which satisfy a certain mini-max condition. These objects can be considered to be analogues of expander graphs in the realm of linear algebra, with a dictionary being given by the cup product in cohomology, and in this context represent a different approach to expanders that those developed by Lubotzky–Zelmanov and Bourgain–Yehudayoff.
Coupled particle–fluid transport and magnetic separation in microfluidic systems with passive magnetic functionality (2013)

A study is presented of coupled particle–fluid transport and field-directed particle capture in microfluidic systems with passive magnetic functionality. These systems consist of a microfluidic flow cell on a substrate that contains embedded magnetic elements. Two systems are considered that utilize soft- and hard-magnetic elements, respectively. In the former, an external field is applied to magnetize the elements, and in the latter, they are permanently magnetized. The field produced by the magnetized elements permeates into the flow cell giving rise to an attractive force on magnetic particles that flow through it. The systems are studied using a novel numerical/closed-form modelling approach that combines numerical transport analysis with closed-form field analysis. Particle–fluid transport is computed using computational fluid dynamics (CFD), while the magnetic force that governs particle capture is obtained in closed form. The CFD analysis takes into account dominant particle forces and two-way momentum transfer between the particles and the fluid. The two-way particle–fluid coupling capability is an important feature of the model that distinguishes it from more commonly used and simplified one-way coupling analysis. The model is used to quantify the impact of two-way particle–fluid coupling on both the capture efficiency and the flow pattern in the systems considered. Many effects such as particle-induced flow-enhanced capture efficiency and flow circulation are studied that cannot be predicted using one-way coupling analysis. In addition, dilute particle dispersions are shown to exhibit significant localized particle–fluid coupling near the capture regions, which contradicts the commonly held view that two-way coupling can be ignored when analysing high-gradient magnetic separation involving such particle systems. Overall, the model demonstrates that two-way coupling needs to be taken into account for rigorous predictions of capture efficiency, especially for applications involving high particle loading and/or low flow rates. It is computationally more efficient and accurate than purely numerical models and should prove useful for the rational design and optimization of novel magnetophoretic microsystems.
Correlation of Color Fundus Photograph Grading with Risks of Early Age-related Macular Degeneration by using Automated OCT-derived Drusen Measurements (2018)

We evaluated automated OCT-derived drusen volume measures in a population-based study (n = 4,512) aged ≥40 years, and its correlation with conventional color fundus photographs (CFP)-derived early AMD features. Participants had protocol-based assessment to capture medical and ocular history, genotyping for SNPs in CFH, ARMS2, and CETP, CFP-based AMD grading and automated drusen volume based on SD-OCT using built-in software (Cirrus OCT advanced RPE analysis software). Significantly fewer eyes with early AMD features (drusen, hyperpigmentation, soft or reticular drusen) had drusen volume = 0 mm<sup>3</sup> (p < 0.001). In eyes with drusen volume > 0 mm<sup>3</sup>, increasing AMD severity was associated with increase in drusen volume (correlation coefficient 0.17, p < 0.001). However 220 (59.14%) of 372 participants with AMD based on CFP grading had drusen volume = 0 mm<sup>3</sup>. Factors associated with drusen volume included age (OR 1.42 per 5 years, 95% confidence interval [CI] 2.76, 4.48), systolic blood pressure (OR1.00, 95% CI 1.00, 1.01), ethnic Malay (OR 1.54, 95% CI 1.29, 1.83) and Chinese (OR 1.66, 95% CI 1.37, 2.01) compared to Indian. The ARMS2 rs10490924 T allele was associated with increased drusen volume in subjects with AMD (multivariable adjusted OR1.54, 95% CI 1.08, 2.19). Automated OCT-derived drusen volume is correlated with CFP-based AMD grading in many, but not all subjects. However the agreement is not good. These two modalities provide complementary information and should be incorporated into future studies.
Perinatal Exposure to Measles Virus Is Not Associated with the Development of Inflammatory Bowel Disease (1999)

It has been suggested that early exposure to measles virus, including perinatal exposure via maternal infection, may lead to persistent measles virus infection and the subsequent development of inflammatory bowel disease (IBD). We sought to examine this association in our patient population. Maternal measles infection was identified through the Mayo Clinic diagnostic index, and cases were verified by chart review. Cases were included if infection occurred between the second trimester and 6 months postpartum. The offspring, or a first degree family member, were then interviewed regarding a history of IBD or symptoms which might suggest IBD. Seven cases of maternal infection were identified out of 67,912 pregnancies between 1935 and 1985. One offspring was lost to follow-up through adoption, and the remaining six have no evidence of Crohn's disease or ulcerative colitis after a mean of 38 years of follow-up (range 12-62 years). Evidence for an association between perinatal exposure to measles virus via maternal infection and the subsequent development of IBD was not found in our patient population.
ChemInform Abstract: Crystal, Electronic Structures and Photoluminescence Properties of Rare‐Earth Doped LiSi2N3. (2009)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 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.
Over 10 000 Peptide Identifications from the HeLa Proteome by Using Single‐Shot Capillary Zone Electrophoresis Combined with Tandem Mass Spectrometry (2014)

Capillary zone electrophoresis (CZE)-tandem mass spectrometry (MS/MS) has recently attracted attention as a tool for shotgun proteomics. However, its performance for this analysis has so far fallen far below that of reversed-phase liquid chromatography (RPLC)-MS/MS. The use of a CZE method with a wide separation window (up to 90 min) and high peak capacity (ca. 300) is reported. This method was coupled to an Orbitrap Fusion mass spectrometer through an electrokinetically pumped sheath-flow interface for the analysis of complex proteome digests. Single-shot CZE-MS/MS lead to the identification of over 10 000 peptides and 2100 proteins from a HeLa cell proteome digest in approximately 100 min. This performance is nearly an order of magnitude better than earlier CZE studies and is within a factor of two to four of the state-of-the-art nano ultrahigh-pressure LC system.
Predicting outcomes of steady-state 13C isotope tracing experiments using Monte Carlo sampling (2012)

While 13C analysis is a useful tool in systems biology, high redundancy in measurements limits the information that can be obtained from each experiment. It is however possible to compute potential limitations before an experiment is run and predict whether, and to what degree, the rate of each reaction can be resolved.
The Reading-Life Log -- Technologies to Recognize Texts That We Read (2013)

Reading life log is a type of techniques to automatically and unconsciously record people's reading intentions, interests and habits. Besides, it can also serve as various assistants in our daily life. In this paper, a reading-life log system is implemented by a head-mounted and unobtrusive video camera with a high resolution and a high shutter speed. We utilize DP matching, and propose a text-based frame mosaicing method to integrate multiple frames in a clip. The developed system is tested in the various environments indoor and outdoor. The experimental results show that our system can provide reliable outputs with respect to the most correct responses. The infrequent misregistration between lines also indicates the feasibility and validity of the text-based frame mosaicing.
ChemInform Abstract: Hybridization Properties of Aromatic Peptide Nucleic Acids: A Novel Class of Oligonucleotide Analogues. (2002)

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.
Quantitative rigidity and tremor evaluation using accelerometer during deep brain stimulation surgery - a preliminary study (2012)

International audience
MR lymphography: study of a high-efficiency lymphotrophic agent. (1994)

Lymph node accumulation of MION-46 is high. Modification of injection techniques that alter capillary permeability allows use of systemically administered agent at doses as low as 15-25 mumol Fe per kilogram.
ChemInform Abstract: Co(III)(salen)‐Catalyzed Phenolic Kinetic Resolution of Two Stereocentered Benzyloxy and Azido Epoxides: Its Application in the Synthesis of ICI‐118,551, an anti‐Hypertensive Agent. (2014)

Abstract The synthesis of anti‐alcohols (III) and syn‐alcohols (VI) is carried out by a phenolic kinetic resolution of corresponding epoxides (I) and (V) in the presence of a chiral cobalt salem catalyst.
Iodinated Dopamine D1 and D2 Receptor Imaging Agents for SPECT (1993)

In vivo imaging of the dopaminergic system in the mammalian brain has been the subject of extensive studies in recent years. Not only is this part of the central nervous system (CNS) very important for normal brain function, it is also a possible primary action site for antiparkinsonian agents or neuroleptic drugs for schizophrenia. Addiction to cocaine, which is an acute social and economic problem, is related to the CNS reward system involving dopaminergic function. Binding of cocaine to the dopamine reuptake sites, which leaves more dopamine in the synaptic cleft for binding to the postsynaptic neuron, is the primary mechanism for stimulation. There is a wealth of pharmacological information about the dopamine receptor (Creese and Fraser, 1987; Beaulieu, 1987; Waddington, 1986; Waddington, 1989; Stoof and Kebabian, 1984; Waddington and O’Boyle, 1987; Waddington and O’Boyle, 1989; Sidhu et al., 1991).
Transient extremely shallow anterior chamber caused by ciliochoroidal detachment in a patient with Mycobacterium chelonae keratitis (2019)

severe anterior segment inflammation due to infectious keratitis may cause CCD and subsequent reduction of anterior chamber depth due to anterior rotation. AS-OCT is a non-invasive and efficient tool for the evaluation of iridociliary structure and the anterior chamber in patients with infectious keratitis.
Adjuvant arthritis is associated with changes in the glycosylation of serum IgG1 and IgG2b (1993)

The increased amounts of agalactosyl IgG (N-linked oligosaccharides terminating with N-acetylglucosamine (GlcNAc) in the serum of patients with rheumatoid arthritis (RA) and other chronic inflammatory diseases have suggested that agalactosyl IgG may be involved in the pathogenesis of RA. We have now evaluated the incidence of agalactosyl IgG in the Lewis rat during the course of adjuvant arthritis (AA). The modification in glycosylation of IgG was measured by means of polyclonal and monoclonal anti GlcNAc antibodies as well as by the lectin concanavalin A (Con A). The results show that Lewis rats undergo a change in serum IgG glycosylation during the course of AA. As in human RA patients, rats with AA lack terminal galactose on IgG heavy chain oligosaccharides, and the terminal GlcNAc or mannose residues are thus exposed. The degree of agalactosyl IgG was positively correlated with the incidence of disease, peaked 20 days after disease induction, and the IgG gradually reverted to the fully glycosylated form thereafter. The post-arthritic glycosylation profile was very similar to that characteristic of the naive animal. Purified IgG was shown to contain two IgG subclasses, IgG1 and IgG2b, which underwent changes in glycosylation. Western blot analysis revealed that IgG1 expressed a higher degree of terminal mannose, whereas IgG2b expressed a higher degree of terminal GlcNAc. These findings raise the question of the possible involvement of agalactosyl IgG in immune complex-mediated inflammation.
Investigation on barrier inhomogeneities in 4H‐SiC Schottky rectifiers (2006)

Abstract In order to investigate the Schottky barrier height inhomogeneities in 4H silicon carbide Schottky rectifiers, two surface modification processes were developed to control the influence caused by the surface defects. Both forward and reverse electrical characteristics of Schottky contacts, fabricated on different surface conditions, indicated that the inhomogeneities could be precisely controlled, completely eliminated and exactly duplicated using reactive ion etching and hydrogen‐etching surface modification processes. After removing the barrier inhomogeneities, all contacts exhibited a wide linearity region (over nine decades) which can be well explained using thermionic emission theory. The calculated ideality factor n and the Schottky barrier height Φ b were in the range of 1.17–1.20 and 1.12 eV–1.22 eV respectively. Most contacts exhibited a low reverse leakage, about 10 –6 A/cm 2 at the reverse bias of 300 V. Finally sharp‐apex growth pits were proposed as source defects to understand the Schottky barrier height inhomogeneities. (© 2006 WILEY‐VCH Verlag GmbH &amp; Co. KGaA, Weinheim)
Facile synthesis of a chiral polymeric helix; folding by intramolecular hydrogen bondingElectronic Supplementary Information (ESI) available: experimental details. See http://www.rsc.org/suppdata/cc/b3/b312407j/ (2003)

In a single condensation step, a poly-ureidophthalimide is synthesized, which folds into a chiral, helical architecture according to circular dichroism spectroscopy.
Correlation Between tRNALys3 Aminoacylation and Its Incorporation into HIV-1 (2002)

During human immunodeficiency virus type 1 (HIV-1) assembly, tRNA(Lys) is selectively packaged into the virus, where tRNA(Lys3) serves as the primer for reverse transcription. Lysyl-tRNA synthetase is also selectively incorporated into HIV-1 and is therefore a strong candidate for being the signal by which viral proteins interact with tRNA(Lys) isoacceptors. Previously, mutations in the tRNA(Lys3) anticodon have been shown to strongly inhibit the charging of tRNA(Lys3) by lysyl-tRNA synthetase in vitro, and we show here that in vivo aminoacylation is also inhibited by anticodon changes. The order of decreasing in vivo aminoacylation for tRNA(Lys3) anticodon mutants is: wild-type SUU (where S = mcm(5)S(2)U) 100%) --> SGU (49%) --> CGU (40%) --> SGA (0%) and CGA (0%). We found that the ability of these tRNA(Lys3) anticodon variants to be aminoacylated in vivo is directly correlated with their ability to be packaged into HIV-1. These data showed that the anticodon is a major determinant for tRNA(Lys3) packaging and support the conclusion that its productive interaction with lysyl-tRNA synthetase is important for tRNA(Lys3) incorporation into HIV-1.