gebhart/patrepeval huggingface dataset:
Total chemical synthesis and NMR characterization of the glycopeptide tx5a, a heavily post‐translationally modified conotoxin, reveals that the glycan structure is α‐d‐Gal‐(1→3)‐α‐d‐GalNAc (2004)

The 13-amino acid glycopeptide tx5a (Gla-Cys-Cys-Gla-Asp-Gly-Trp*-Cys-Cys-Thr*-Ala-Ala-Hyp-OH, where Trp* = 6-bromotryptophan and Thr* = Gal-GalNAc-threonine), isolated from Conus textile, causes hyperactivity and spasticity when injected intracerebral ventricularly into mice. It contains nine post-translationally modified residues: four cysteine residues, two gamma-carboxyglutamic acid residues, and one residue each of 6-bromotryptophan, 4-trans-hydroxyproline and glycosylated threonine. The chemical nature of each of these has been determined with the exception of the glycan linkage pattern on threonine and the stereochemistry of the 6-bromotryptophan residue. Previous investigations have demonstrated that tx5a contains a disaccharide composed of N-acetylgalactosamine (GalNAc) and galactose (Gal), but the interresidue linkage was not characterized. We hypothesized that tx5a contained the T-antigen, beta-D-Gal-(1-->3)-alpha-D-GalNAc, one of the most common O-linked glycan structures, identified previously in another Conus glycopeptide, contalukin-G. We therefore utilized the peracetylated form of this glycan attached to Fmoc-threonine in an attempted synthesis. While the result-ing synthetic peptide (Gla-Cys-Cys-Gla-Asp-Gly-Trp*-Cys-Cys-Thr*-Ala-Ala-Hyp-OH, where Trp* =6-bromotryptophan and Thr* = beta-D-Gal-(1-->3)-alpha-D-GalNAc-threonine) and the native peptide had almost identical mass spectra, a comparison of their RP-HPLC chromatograms suggested that the two forms were not identical. Two-dimensional 1H homonuclear and 13C-1H heteronuclear NMR spectroscopy of native tx5a isolated from Conus textile was then used to determine that the glycan present on tx5a indeed is not the aforementioned T-antigen, but rather alpha-D-Gal-(1-->3)-alpha-D-GalNAc.
Broadband Midinfrared Comb-Resolved Fourier Transform Spectroscopy (2014)

We combine a Tm-fiber frequency comb, phase-locked doubly-resonant GaAs optical parametric oscillator, multipass cell, and Fourier transform spectrometer to measure comb-resolved spectra at wavelengths of 3.1 to 5.5 micrometers for multiple gases at trace concentrations.
Synthesis and Electrochemical Behavior of a New Water Soluble Ca2+-selective Ionophore Based on Calix[4]arene-triacid-monoquinone (1998)

Abstract A new water-soluble calix[4]arene-triacid-monoquinone 3 has been synthesized and its ion binding properties in aqueous solution were investigated by means of voltammetry and UV-visible spectrophotometry. The electrochemical behavior of 3 is dependent on the concentration of Ca2+ ion rather than that of other alkaline earth metal ions as well as alkali metal cations. The selective response toward Ca2+ was achieved even in the presence of a large excess ( &amp;gt; 1000-fold) of interfering Na+ ion.
Promoting Small and Micro-enterprises through Training Interventions; The Indian Experience (1999)

Development of entrepreneurial capabilities and facilitating the initiation of productive and gainful ventures through EDPs, integrated with other essential support, have made positive impacts on enterprise development in many underdeveloped regions, particularly the hill and mountainous areas in India.The present study analyses some successful (and a few not so successful) training interventions for promotion of small and micro-enterprises in the Himalayan region of India and assesses the scope for their explicability elsewhere. The study finds that EDPs following the EDI approach have as much chance of succeeding in hill regions as elsewhere, but the Group Entrepreneurship Development approach is found to have much better potential in terms of sustaining successful entrepreneurial activities in these regions.
Osteoactivin (GPNMB) ectodomain protein promotes growth and invasive behavior of human lung cancer cells (2016)

The potential application of GPNMB/OA as a therapeutic target for lung cancer will require a greater understanding of the impact of GPNMB/OA ectodomain (ECD) protein shedding into tumor tissues. Thus, in this work we characterized GPNMB/OA expression and extent of shedding of its ECD protein while evaluating the impact on lung cancer progression using three non-small cell lung cancer (NSCLC) cell lines: A549, SK-MES-1 and calu-6. We observed a direct correlation (R2 = 0.89) between GPNMB/OA expression on NSCLC cells and the extent of GPNMB/OA ECD protein shedding. Meanwhile, siRNA-mediated knockdown of GPNMB/OA in cancer cells significantly reduced GPNMB/OA ECD protein shedding, migration, invasion and adhesion to extracellular matrix materials. Also, exogenous treatment of cancer cells (expressing low GPNMB/OA) with recombinant GPNMB/OA protein (rOA) significantly facilitated cell invasion and migration, but the effects of rOA was negated by inclusion of a selective RGD peptide. Further studies in athymic (nu/nu) mice-bearing calu-6 showed that intratumoral supplementation with rOA effectively facilitated in vivo tumor growth as characterized by a high number of proliferating cells (Ki67 staining) coupled with a low number of apoptotic cells. Taken together, our results accentuate the relevance of GPNMB/OA ECD protein shedding to progression of lung cancer. Thus, strategies that suppress GPNMB/OA expression on lung cancer cells as well as negate shedding of GPNMB/OA ECD protein are worthy of consideration in lung cancer therapeutics.
Hydroceles of the Canal of Nuck in Adults—Diagnostic, Treatment and Results of a Rare Condition in Females (2020)

Nuck's hydroceles, which develop in a protruding part of the parietal peritoneum into the female inguinal canal, are rare abnormalities and a cause of inguinal swelling, mostly resulting in pain. They appear when this evagination of the parietal peritoneum into the inguinal canal fails to obliterate. Our review of the literature on this topic included several case reports and two case series that presented cases of Nuck hydroceles which underwent surgical therapy. We present six consecutive cases of symptomatic hydroceles of Nuck's canal from September 2016 to January 2020 at the Department of Surgery of Charité Berlin. Several of these patients had a long history of pain and consecutive consultations to outpatient clinics without diagnosis. These patients underwent laparoscopic or conventional excision and if needed simultaneous hernioplasty in our institution. Ultrasonography and/or Magnetic Resonance Imaging were used to display the cystic lesion in the inguinal area, providing the diagnosis of Nuck's hydrocele. This finding was confirmed intraoperatively and by histopathological review. Ultrasound and magnetic resonance imaging (MRI) captures, intraoperative pictures and video of minimal invasive treatment are provided. Nuck's hydroceles should be included in the differential diagnosis of an inguinal swelling. We recommend an open approach to external Type 1 Nuck´s hydroceles and a laparoscopic approach to intra-abdominal Type 2 Nuck hydroceles. Complex hydroceles like Type 3 have to be evaluated individually, as they are challenging and the surgical outcome is dependent on the surgeon's skills. If inguinal channel has been widened by the presence of a Nuck's hydrocele, a mesh plasty, as performed in hernia surgery, should be considered.
Axially Substituted Silicon Phthalocyanine as Electron Donor in a Dyad and Triad with Azafullerene as Electron Acceptor for Photoinduced Charge Separation (2016)

The synthesis of a donor-acceptor silicon phthalocyanine (SiPc)-azafullerene (C<sub>59</sub> N) dyad 1 and of the first acceptor-donor-acceptor C<sub>59</sub> N-SiPc-C<sub>59</sub> N dumbbell triad 2 was accomplished. The two C<sub>59</sub> N-based materials were comprehensively characterized with the aid of NMR spectroscopy, MALDI-MS as well as DFT calculations and their redox and photophysical properties were evaluated with CV and steady-state and time-resolved absorption and photoluminescence spectroscopy measurements. Notably, femtosecond transient absorption spectroscopy assays revealed that both dyad 1 and triad 2 undergo, after selective photoexcitation of the SiPc moiety, photoinduced electron transfer from the singlet excited state of the SiPc moiety to the azafullerene counterpart to produce the charge-separated state, with lifetimes of 660 ps, in the case of dyad 1, and 810 ps, in the case of triad 2. The current results are expected to have significant implications en route to the design of advanced C<sub>59</sub> N-based donor-acceptor systems targeting energy conversion applications.
Microenvironment control of porphyrin binding, organization, and function in peptide nanofiber assemblies (2019)

To take peptide materials from predominantly structural to functional assemblies, variations in cofactor binding sites must be engineered and controlled. Here, we have employed the peptide sequence c16-AHX3K3-CO2H where X3 represents the aliphatic structural component of the peptide design that dictates β-sheet formation and upon self-assembly yields a change in the overall microenvironment surrounding the Zn protoporphyrin IX ((PPIX)Zn) binding site. All peptides studied yield β-sheet rich nanofibers highlighting the materials' resiliency to amino acid substitution. We highlight that the (PPIX)Zn binding constants correlate strongly with amino acid side chain volume, where X = L or I yields the lowest dissociation constant values (KD). The resulting microenvironment highlights the materials' ability to control interchromophore electronic interactions such that slip-stacked cofacial arrangements are observed via exciton splitting in UV/visible and circular dichroism spectroscopy. Steady state and time-resolved photoluminescence suggests that greater interchromophore packing yields larger excimer populations and corresponding longer excimer association lifetimes (τA) which directly translates to shorter exciton diffusion lengths. In comparison to synthetic porphyrin molecular assemblies, this work demonstrates the ability to employ the peptide assembly to modulate the degree of cofactor arrangement, extent of excimer formation, and the exciton hopping rates all while in a platform amenable for producing polymer-like materials.
Efficient resonance management in ultrahigh-Q one-dimensional photonic crystal nanocavities fabricated on 300 mm SOI CMOS platform (2020)

Photonic crystal (PhC) nanocavities have demonstrated unique capabilities in terms of light confinement and manipulation. As such, they are becoming attractive for the design of novel resonance-based photonic integrated circuits (PICs). Here two essential challenges arise however - how to realize ultrahigh-Q PhC cavities using standard fabrication processes compatible with large volume fabrication, and how to efficiently integrate them with other standard building blocks, available in exiting PIC platforms. In this work, we demonstrate ultrahigh-Q 1D PhC nanocavities fabricated on a 300 mm SOI wafer by optical lithography, with a record Q factor of up to 0.84 million. Moreover, we show efficient mode management in those oxide embedded cavities by coupling them with an access waveguide and realize two critical components: notch filters and narrow-band reflectors. In particular, they allow both single-wavelength and multi-wavelength operation, at the desired resonant wavelengths, while suppressing all other wavelengths over a broad wavelength range (&gt;100 nm). Compared to traditional cavities, this offers a fantastic strategy for implementing resonances precisely in PIC designs with more freedom in terms of wavelength selectivity and the control of mode number. Given their compatibility with optical lithography and compact footprint, the realized 1D PhC nanocavities will be of profound significance for designing compact and novel resonance-based photonic components on large scale.
Exhaled aerosol increases with COVID-19 infection, age, and obesity (2021)

COVID-19 transmits by droplets generated from surfaces of airway mucus during processes of respiration within hosts infected by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) virus. We studied respiratory droplet generation and exhalation in human and nonhuman primate subjects with and without COVID-19 infection to explore whether SARS-CoV-2 infection, and other changes in physiological state, translate into observable evolution of numbers and sizes of exhaled respiratory droplets in healthy and diseased subjects. In our observational cohort study of the exhaled breath particles of 194 healthy human subjects, and in our experimental infection study of eight nonhuman primates infected, by aerosol, with SARS-CoV-2, we found that exhaled aerosol particles vary between subjects by three orders of magnitude, with exhaled respiratory droplet number increasing with degree of COVID-19 infection and elevated BMI-years. We observed that 18% of human subjects (35) accounted for 80% of the exhaled bioaerosol of the group (194), reflecting a superspreader distribution of bioaerosol analogous to a classical 20:80 superspreader of infection distribution. These findings suggest that quantitative assessment and control of exhaled aerosol may be critical to slowing the airborne spread of COVID-19 in the absence of an effective and widely disseminated vaccine.
Favipiravir for the treatment of COVID-19 in elderly patients—what do we know after 2 years of COVID-19? (2022)

Since the appearance of coronavirus disease 2019 (COVID-19), numerous studies have been conducted to find effective therapeutics. Favipiravir (FVP) is one of the repurposed drugs which has been authorized in a few countries on an emergency basis to treat COVID-19. Elderly individuals especially 65 years or older are more prone to develop severe illness. We aim to provide a short summary of the current knowledge of the antiviral efficacy of favipiravir with respect to severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)-infected elderly patients. We found that it is rather controversial whether favipiravir is effective against SARS-CoV-2 infection. Data regarding patients 65 years or older is not sufficient to support or reject the usage of favipiravir for COVD-19 treatment. Further studies would be advisable to elicit the efficiency of favipiravir in elderly COVID-19 patients.
Role of sympathetic nervous system in rat model of chronic visceral pain (2015)

The results support a role of the SNS in driving the chronic visceral and somatic hypersensitivity seen in CI rats. The findings further suggest that treatments that decrease sympathetic outflow or block activation of adrenergic receptors on sensory nerves could be beneficial in the treatment of generalized pain syndromes.
Treatment of anal fissures with topical nitroglycerin (2001)

Anal fissure is a painful condition that is caused by anodermal tearing after the passage of hard stool. Severe cases result in involuntary internal anal sphincter spasm and have traditionally been treated surgically with a lateral sphincterotomy. Investigators have demonstrated that nitric oxide causes relaxation of the smooth muscle of the anal canal, so topical nitroglycerin ointment preparations have recently been studied as an efficacious alternative to surgery. Despite the fact that there are a number of trials examining topical nitroglycerin for the treatment of anal fissures, there remains no consensus about concentrations, compositions and applications necessary to obtain good results. This review summarises current literature regarding topical nitroglycerin pharmacotherapy for anal fissure.
A computer-assisted two-dimensional gel electrophoresis approach for studying the variations in protein expression related to an induced functional repression of NFκB in lymphoblastoid cell lines (1999)

Strategies are needed for conclusive interpretation of two-dimensional gel electrophoresis (2-D PAGE) maps in order to identify pertinent differences in protein expression during regulation of the transcription of discrete sets of genes. The model used in this study was a human lymphoblastoid cell line in which a functional repression of the transcription factors NFkappaB was obtained by induction of overexpression of IkappaBalpha, a physiological inhibitor of NFkappaB. The analytical methodology used relies on the comparison of two sets of 2-D PAGE maps for detecting differences in protein expression between samples overexpressing or not overexpressing IkappaBalpha. The analysis was based on a combination of an automatic computerized analysis, constituting an actual aid for deciding, and of an interactive visual validation, corresponding to the interpretation of computer propositions. This strategy is proposed as a rapid way to detect potential variations in protein expression applicable to any biological model. In this study, correspondence analysis data made it possible to discrimate between the samples overexpressing or not overexpressing IkappaBalpha, and pointed out some of the potential meaningful spots characterizing the samples in which NFkappaB was active. Then, after visual validation of the computer data, 53 polypeptides were considered to be different in the two classes of gels. Five polypeptides were specifically found in both samples overexpressing IkappaBalpha. The overexpression of IkappaB also induced a lower expression of 11 polypeptides. Finally, 15 polypeptides were only expressed in samples in which IkappaBalpha was not overexpressed and, consequently, in which NFkappaB factors were active. Thus, these polypeptides are candidates for further analysis as putative target gene products of NFkappaB.
Reactions at the nanoscale: general discussion (2016)

Richard Nichols opened a general discussion of the paper by Olaf Magnussen: You state that perchlorate is not absorbed on bismuth. What is the evidence for this? For example is this apparent from the voltammetry? Olaf Magnussen answered: Previous studies of Bi UPD on Au(111) and
Combination of Atezolizumab and Obinutuzumab in Patients with Relapsed/Refractory Follicular Lymphoma and Diffuse Large B‐Cell Lymphoma: Results from a Phase 1b Study (2021)

The combination of obinutuzumab and atezolizumab was determined to be safe and tolerable, with no new toxicities observed.
Wettability of shale–brine–H2system and H2-brine interfacial tension for assessment of the sealing capacities of shale formations during underground hydrogen storage (2022)

Replacement of fossil fuels with clean hydrogen has been recognized as the most feasible approach of implementing CO2-free hydrogen economy globally. However, large-scale storage of hydrogen is a critical component of hydrogen economy value chain because hydrogen is the lightest molecule and has moderately low volumetric energy content. To achieve successful storage of buoyant hydrogen at the subsurface and convenient withdrawal during the period of critical energy demand, the integrity of the underground storage rock and overlying seal (caprock) must be assured. Presently, there is paucity of information on hydrogen wettability of shale and the interfacial properties of H2/brine system. In this research, contact angles of shale/H2/brine system and hydrogen/brine interfacial tension (IFT) were measured using Krüss drop shape analyzer (DSA 100) at 50 °C and varying pressure (14.7–1000 psi). A modified form of sessile drop approach was used for the contact angles measurement, whereas the H2-brine IFT was measured through the pendant drop method. H2-brine IFT values decreased slightly with increasing pressure, ranging between 63.68° at 14.7 psia and 51.29° at 1000 psia. The Eagle-ford shale with moderate total organic carbon (TOC) of 3.83% attained fully hydrogen-wet (contact angle of 99.9°) and intermediate-wet condition (contact angle of 89.7°) at 14.7 psi and 200 psi respectively. Likewise, the Wolf-camp shale with low TOC (0.30%) attained weakly water-wet conditions, with contact angles of 58.8° and 62.9°, at 14.7 psi and 200 psi respectively. The maximum height of hydrogen that can be securely trapped by the Wolf-camp shale was approximately 325 meters whereas the value was merely 100 meters for the Eagle-ford shale. Results of this study will aid in assessment of hydrogen storage capacity of organic-rich shale (adsorption trapping), as well as evaluation of the sealing potentials of low TOC shale (caprock) during underground hydrogen storage.
Blockade of the Pre-ovulatory LH Surge in Hamsters by an Inhibitory Analog of LH-RH (1975)

Cycling hamsters were injected sc with 750 μg of d-Phe2-d-Leu6-LH-RH, an inhibitory analog of LH-RH at 3, 4, 5, and 6 pm on the day of proestrus. Serum LH levels were determined by radioimmunoassay in samples collected throughout the afternoon of proestrus. Treatment with d-Phe2-d-Leu6-LH-RH led to 82.8% suppression of the physiological surge of LH as compared with the integrated LH levels of diluent-treated animals. When ova were counted, treatment with d-Phe2-d-Leu6-LH-RH was shown to produce 29.6% (P < 0.05) inhibition of ovulation as compared with diluent-treated animals. No rebound phenomenon in serum LH was observed in the evening of proestrus in animals treated with the analog. Incomplete inhibition of ovulation may be due to the possibility that the small LH surge was well in excess of that needed to produce ovulation or could be synergized with an incomplete FSH surge which was not measured in this study. The small peaks of LH still present in the analog-treated animals may be explained by the intrinsic gonadotropin-releasing activity of the analog and/or the schedule of treatment used.
SARS-CoV-2 Variants Increase Kinetic Stability of Open Spike Conformations as an Evolutionary Strategy (2022)

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) variants of concern (VOCs) harbor mutations in the spike (S) glycoprotein that confer more efficient transmission and dampen the efficacy of COVID-19 vaccines and antibody therapies. S mediates virus entry and is the primary target for antibody responses, with structural studies of soluble S variants revealing an increased propensity toward conformations accessible to the human angiotensin-converting enzyme 2 (hACE2) receptor. However, real-time observations of conformational dynamics that govern the structural equilibriums of the S variants have been lacking. Here, we report single-molecule Förster resonance energy transfer (smFRET) studies of critical mutations observed in VOCs, including D614G and E484K, in the context of virus particles. Investigated variants predominately occupied more open hACE2-accessible conformations, agreeing with previous structures of soluble trimers. Additionally, these S variants exhibited slower transitions in hACE2-accessible/bound states. Our finding of increased S kinetic stability in the open conformation provides a new perspective on SARS-CoV-2 adaptation to the human population. <b>IMPORTANCE</b> SARS-CoV-2 surface S glycoprotein-the target of antibodies and vaccines-is responsible for binding to the cellular receptor hACE2. The interactions between S and hACE2 trigger structural rearrangements of S from closed to open conformations prerequisite for virus entry. Under the selection pressure imposed by adaptation to the human host and increasing vaccinations and convalescent patients, SARS-CoV-2 is evolving and has adopted numerous mutations on S variants. These promote virus spreading and immune evasion, partially by increasing the propensity of S to adopt receptor-binding competent open conformations. Here, we determined a time dimension, using smFRET to delineate the temporal prevalence of distinct structures of S in the context of virus particles. We present the first experimental evidence of decelerated transition dynamics from the open state, revealing increased stability of S open conformations to be part of the SARS-CoV-2 adaption strategies.