gebhart/patrepeval huggingface dataset:
3-Sulfinopropionyl-coenzyme A (3SP-CoA) desulfinase fromAdvenella mimigardefordensisDPN7T: crystal structure and function of a desulfinase with an acyl-CoA dehydrogenase fold (2015)

3-Sulfinopropionyl-coenzyme A (3SP-CoA) desulfinase (AcdDPN7; EC 3.13.1.4) was identified during investigation of the 3,3'-dithiodipropionic acid (DTDP) catabolic pathway in the betaproteobacterium Advenella mimigardefordensis strain DPN7(T). DTDP is an organic disulfide and a precursor for the synthesis of polythioesters (PTEs) in bacteria, and is of interest for biotechnological PTE production. AcdDPN7 catalyzes sulfur abstraction from 3SP-CoA, a key step during the catabolism of DTDP. Here, the crystal structures of apo AcdDPN7 at 1.89 Å resolution and of its complex with the CoA moiety from the substrate analogue succinyl-CoA at 2.30 Å resolution are presented. The apo structure shows that AcdDPN7 belongs to the acyl-CoA dehydrogenase superfamily fold and that it is a tetramer, with each subunit containing one flavin adenine dinucleotide (FAD) molecule. The enzyme does not show any dehydrogenase activity. Dehydrogenase activity would require a catalytic base (Glu or Asp residue) at either position 246 or position 366, where a glutamine and a glycine are instead found, respectively, in this desulfinase. The positioning of CoA in the crystal complex enabled the modelling of a substrate complex containing 3SP-CoA. This indicates that Arg84 is a key residue in the desulfination reaction. An Arg84Lys mutant showed a complete loss of enzymatic activity, suggesting that the guanidinium group of the arginine is essential for desulfination. AcdDPN7 is the first desulfinase with an acyl-CoA dehydrogenase fold to be reported, which underlines the versatility of this enzyme scaffold.
Potential of Cement Augmentation of PFNA Blades with Regard to Cut-out Resistance: Human Cadaveric Test (2010)

sponsorship: Biomedical Services, AO Research Institute Davos, Davos, Switzerland.
Immunology, DNA, and Heartbeats (1999)

Cellular automata (WOLFRAM 1986) consist of binary variables (“spins”) ±1, usually distributed on large lattices. The value of each spin at the following time step is determined by the values of its neighbouring spins and perhaps also of itself at the present time step.
The Scalp Is an Advantageous Donor Site for Thin-Skin Grafts: A Report on 945 Harvested Samples (2006)

The results of this study confirm the rapidity of scalp healing compared with other donor sites. Providing patients with clear, detailed explanations helps minimize the psychological impact of having their heads shaved, and a rigorous technique can contain the two major potential risks: hemorrhage and alopecia. The adult scalp seems to be a donor site to be exploited whenever possible.
Outcomes associated with respiratory failure for patients with cardiogenic shock and acute myocardial infarction: a substudy of the culprit-shock trial (2020)

Abstract Background Respiratory insufficiency with the need for mechanical ventilation (MV) is one of the most common indications for admission to intensive care units. However, little is known about the clinical outcomes of patients with acute myocardial infraction (AMI) complicated by cardiogenic shock (CS) who require mechanical ventilation (MV). The aim of this study was to identify the characteristics, risk factors, and outcomes associated with the provision of MV in this specific high-risk population. Methods Patients with CS complicating AMI and multivessel coronary artery disease from the CULPRIT-SHOCK trial were included. We explored clinical outcome within 30 days in patients not requiring MV, those with MV on admission, and those in whom MV was initiated within the first day after admission. Results Among 683 randomized patients included in the analysis, 17.4% received no MV, 59.7% were ventilated at admission and 22.8% received MV within or after the first day after admission. Patients requiring MV were younger, more frequently non-smokers, had higher body mass indices, presented more often with clinical signs of impaired organ perfusion including worse renal function, higher burden of coronary artery disease, were more likely to have experienced resuscitation within 24h before admission, had worse left ventricular function, and presented more often with non-ST-segment elevation myocardial infarction. The primary endpoint of all-cause death or need for renal replacement therapy occurred in 21.8% of patients without MV, in 53.3% of patients with MV at admission (adjusted odds ratio [aOR] 6.03, 95% confidence interval (CI) 3.17–11.47, p=0.002, compared to patients without) and 65.4% of patients with MV initiated within the first day after admission (aOR 8.09 95% CI 4.32–15.16, p&amp;lt;0.001, compared to patients without). Factors independently associated with the provision of MV on admission included higher body weight, resuscitation within 24h before admission, elevated heart rate and evidence of triple vessel disease. Conclusions Requiring MV in patients with CS complicating AMI is common and independently associated with mortality after adjusting for covariates. Patients with delayed MV initiation appear to be at higher risk of adverse outcomes. Further research is necessary to identify the optimal timing of MV in this high-risk population. Funding Acknowledgement Type of funding source: Public grant(s) – EU funding. Main funding source(s): Swiss National Foundation
ChemInform Abstract: Synthesis of 1‐Hydroxybicyclo[3.2.1]oct‐3‐en‐2‐ones by Acyloin Rearrangement of 1‐Methoxy‐ or 1‐tert‐Butyldimethylsilyloxy‐bicyclo[2.2.2]oct‐5‐en‐2‐ones. (1998)

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.
Response of CFTR-Deficient Mice to Long-Term chronic Pseudomonas aeruginosa Infection and PTX3 Therapy (2012)

These findings represent a step forward in demonstrating the therapeutic potential of PTX3 in CF.
Preface (2001)

Do-it-yourself books typically help readers to perform physical tasks, such as installing energy-efficient windows or growing aphid-free roses. This do-it-yourself book offers help on an intellectual task: developing risk communications using a mental models approach. Such communications are designed to contain, in readily usable form, the information that people need to make informed decisions about risks to health, safety, and the environment. Some of these decisions involve risks that individuals face in their everyday lives. Others involve risks that they must address as citizens in a modern society.
World Trade Center responders in their own words: predicting PTSD symptom trajectories with AI-based language analyses of interviews (2021)

This is the first study to demonstrate the value of AI in understanding PTSD in a vulnerable population. Future studies should extend this application to other trauma exposures and to other demographic groups, especially under-represented minorities.
Nanocomposite Gels —Fundamental Significance and New Functions— (2008)

近年，新たな分子設計による高分子ヒドロゲルの展開が進みつつある．筆者らは，無機クレイナノ粒子を超多官能架橋剤として働かせて得られる「ナノコンポジットゲル(NC ゲル)」を創製した．NC ゲルでは，特異的な「有機/無機ネットワーク構造」の構築により，従来の化学架橋型ヒドロゲルのかかえる多くの課題(力学的ぜい弱性，構造不均一性，低膨潤/収縮性)を一挙に解決することが可能となった．また，NC ゲルの組成変化(クレイ・ポリマーの種類や濃度)や架橋構造変化(二重架橋，相互侵入網目)により，力学物性，透明性，膨潤性，刺激応答性といったゲルの基本的物性が広範囲に制御されることが明らかとなった．さらに，有機/無機ネットワーク構造に由来して，多様な機能性(表面滑り摩擦特性，細胞培養性，光学異方性，表面超疎水性，相転移に伴う応力発現，選択吸着性，生体適合性，多彩な形状，表面パターニングなど)が発現することが見いだされた．
Photochromic Indolyl Fulgimides as Chromo-pharmacophores Targeting Sirtuins (2018)

Sirtuins are involved in epigenetic regulation, the pathogenesis of cancer, and several metabolic and neurodegenerative diseases. Despite being a promising drug target, only one small molecule passed class II clinical trials to date. Deriving a better mechanistic understanding is hence crucial to find new modulators. We previously reported on a series of dithienyl maleimides as photochromic tool compounds. However, their photochromic behavior was limited. To improve the interconversion and stability of both photoisomers, we replaced the dithienyl maleimide with a fulgimide as a photochromic core to result in biologically active compounds reversibly addressable with purple and orange light. We characterize the obtained compounds regarding their spectroscopic properties, their photostability, and binding characteristics toward sirtuins resulting in a fully remote-controllable Sirtuin modulator using visible light as the external stimulant.
Critically Evaluated Thermochemical Properties of Polycyclic Aromatic Hydrocarbons (2008)

Experimental thermochemical properties of benzene, toluene, and 63 polycyclic aromatic hydrocarbons, published within the period 1878–2008 (over 350 references), are reported. Available experimental data for the enthalpies of combustion used to calculate enthalpies of formation in the condensed state, combined with sublimation, vaporization, and fusion enthalpies, are critically evaluated. Whenever possible, recommended values for these thermochemical properties and for the enthalpies of formation in the gas state at T=298.15K are provided.
Plant Cell Cultures and Synthetic Chemistry - A Potentially Powerful Route to Complex Natural Products (1991)

A general overview of the combined use of plant cell cultures and synthetic chemistry to afford efficient routes to complex natural products and related analogues is presented. Several specific examples illustrate the overall strategy and rationale involved. 1. Introduction 2. Studies with Cell Cultures of C. roseus-The Vinblastine Family 2.1. Biotransformation and Biosynthetic Studies: Enzymatic Reactions versus Laboratory Syntheses 2.2. Enzyme Immobilization 2.3. Biomimetic Studies - Biosynthetic Information Sets the Stage for an Efficient Synthesis of Vinblastine 2.4. Synthetic Studies - A Highly Efficient and Commercially Important Route to Vinblastine 3. Studies with Cell Cultures of C. roseus - The Podophyllotoxin Family 4. Conclusion
Successful treatment of persistent voiding dysfunction following Tension Free Vaginal Tape procedure (2005)

We describe a case of acute fatty liver that developed during the third trimester of pregnancy. Acute fatty liver of pregnancy (AFLP) is a well-documented medical condition and is important due to its implications on maternal and fetal morbidity and mortality. AFLP is managed with supportive care and close surveillance is needed in patients with a previous history of this disease. Long-term sequelae such as brain damage may also occur. This case was unusual because the patient presented due to a co-incident uterine scar rupture and was subsequently diagnosed with AFLP. Although no association between scar rupture and AFLP has been reported in the scientific literature, the association of abdominal scar dehiscence and liver disease has been reported previously.
Fall and Spring Oviposition of the Alfalfa Weevil and the Proper Timing of Fall Insecticide Applications (1966)

The amount of fall oviposition of the alfalfa weevil, Hypera postica (Gyllenhal), in alfalfa fields in New York and the relative importance of fall-laid and overwintering eggs as compared with spring-laid eggs were investigated over a 2-year period. These data were used to determine the proper timing of fall insecticide applications for the most effective control. The percentage of successfully overwintering eggs was found to vary according to field location, snow cover, severity of winter, and alfalfa conditions. Early-spring larval populations were found to be significantly correlated with the number of eggs per stem collected during the previous winter. There was no correlation between December-collected eggs and the number of larvae sampled during late spring. Late-fall applications were perhaps most effective either because they controlled the fall population of adults that might have resumed position in the spring, or because the residues were still sufficient in the spring to reduce the adults and larvae that were active then.
ChemInform Abstract: Pyridonecarboxylic Acid Antibacterial Agents. Part 11. An Intramolecular Cyclization of 7‐Substituted 6‐Fluoro‐1,8‐naphthyridine and ‐quinoline Derivatives. (1988)

Abstract The haloquinoline and naphthyridine derivatives (I) are coupled with the diamine (IIa) or the hydroxyethylamine (IIb) and then cyclized to give the fused compounds (IV) or (V).
Depolarization and Muscarinic Excitation Induced in a Sympathetic Ganglion by Vasoactive Intestinal Polypeptide (1985)

The effects of vasoactive intestinal polypeptide (VIP) in the superior cervical ganglion of the cat were studied in vitro and in vivo with sucrose gap and multiunit recording, respectively. At a dose of 0.03 to 0.12 nanomole, VIP produced a dose-dependent, prolonged (3 to 15 minutes) depolarization of the ganglion and enhanced the ganglionic depolarization elicited by the muscarinic agonist acetyl-beta-methylcholine. At a dose of 1.8 to 10 nanomoles, the peptide enhanced and prolonged the postganglionic discharge elicited by acetyl-beta-methylcholine, enhanced muscarinic transmission in ganglia treated with an anticholinesterase agent, and enhanced the late muscarinic discharge elicited by acetylcholine. VIP did not affect the early nicotinic discharge elicited by acetylcholine or by electrical stimulation of the preganglionic nerve. It is concluded that VIP has a selective facilitatory action on muscarinic excitatory mechanisms in the superior cervical ganglion of the cat.
Influence of supplemental dietary poultry fat, phytase, and 25-hydroxycholecalciferol on the performance of commercial layers inoculated before or at the onset of lay with F-strain Mycoplasma gallisepticum1,2 (2010)

The effects of 2 levels of supplemental dietary poultry fat (PF) and the combination of PF, phytase (PHY), and 25-hydroxycholecalciferol (D(3)) on the performance of commercial layers inoculated with F-strain Mycoplasma gallisepticum (FMG) were investigated in 2 trials. Sham and FMG inoculations were administered at 12 (before lay) and 22 (early in lay) wk and dietary treatments [basal control diet (BCD), BCD with 0.75% supplemental PF, BCD with 1.50% supplemental PF, and BCD with 1.50% supplemental PF, 0.013% PHY, and 0.025% D(3)] were initiated at 20 wk of age. Hen BW, egg weight, and egg production (EP) were determined every 4 wk between 24 and 58 wk of age. Feed consumption (FC) and feed conversion were determined in 4-wk intervals beginning on wk 25 and ending on wk 58, and total mortality and mean EP were determined over the entire 24 to 58-wk period. The addition of 0.75 and 1.50% PF increased BW at wk 48 and 58, respectively, and supplemental PF at the 1.50% level increased the BW of hens that had been inoculated (sham or FMG) on wk 22 and reduced the FC of hens inoculated on wk 12. Feed conversion was decreased in the 25 to 28- and 57 to 58-wk age periods and increased in the 45 to 48-wk age periods by an FMG inoculation. In birds inoculated at 22 wk of age, FMG increased egg weight. Although EP was reduced at wk 24 and was increased at wk 58 by FMG, total EP was not affected. In conclusion, an inoculation of FMG at either 12 or 22 wk of age can result in a relative shift in EP from the early to late stage of lay without affecting total EP, and although the BW and FC responses of hens to added dietary PF were influenced by their age and the age of inoculation, use of the supplemental combination of PHY and D(3) had no additional effect on performance when provided in conjunction with 1.50% PF.
TESSERACT: Gradient Flip Score to Secure Federated Learning Against\n Model Poisoning Attacks (2021)

Federated learning---multi-party, distributed learning in a decentralized\nenvironment---is vulnerable to model poisoning attacks, even more so than\ncentralized learning approaches. This is because malicious clients can collude\nand send in carefully tailored model updates to make the global model\ninaccurate. This motivated the development of Byzantine-resilient federated\nlearning algorithms, such as Krum, Bulyan, FABA, and FoolsGold. However, a\nrecently developed untargeted model poisoning attack showed that all prior\ndefenses can be bypassed. The attack uses the intuition that simply by changing\nthe sign of the gradient updates that the optimizer is computing, for a set of\nmalicious clients, a model can be diverted from the optima to increase the test\nerror rate. In this work, we develop TESSERACT---a defense against this\ndirected deviation attack, a state-of-the-art model poisoning attack. TESSERACT\nis based on a simple intuition that in a federated learning setting, certain\npatterns of gradient flips are indicative of an attack. This intuition is\nremarkably stable across different learning algorithms, models, and datasets.\nTESSERACT assigns reputation scores to the participating clients based on their\nbehavior during the training phase and then takes a weighted contribution of\nthe clients. We show that TESSERACT provides robustness against even a\nwhite-box version of the attack.\n
Tunable interminiband infrared emission in superlattice electron transport (1997)

The observation of infrared emission between superlattice conduction minibands is reported. Electrons resonantly injected into the first excited state miniband by an applied electric field make a radiative transition to the ground state miniband. The spectra are dominated by direct high oscillator strength transitions at the mini-Brillouin zone edge and the peak wavelength can be tailored over a broad infrared range by designing the superlattice minigap. At high bias, the spectra extend to wavelengths corresponding to transitions from high lying states near the mini-Brillouin zone center. Experiments in AlInAs/GaInAs superlattices have demonstrated peak luminescence wavelengths of λ=5 and 7 μm. At high currents, the spectra broaden to shorter wavelengths (down to 3 μm) as electrons are tunnel injected high into the second miniband.
A high voltage gain multilevel modular switched-capacitor DC-DC converter (2014)

This paper presents a multilevel modular switched-capacitor dc-dc converter for high voltage gain and high power application with reduced component rating and count. For the traditional switched-capacitor dc-dc converters in high voltage gain application, the switching device or the capacitor has to suffer the high voltage stress. For the topology with reduced device and capacitor voltage stress, a large amount of device and capacitor number is usually required. The proposed circuit has low device number, low device and capacitor voltage stress and low device current stress in contrast to the conventional circuits. Besides, the proposed circuit also has modular structure, low conduction loss, high frequency operation capability, interleaving operation capability and soft-switching features. Therefore, a high power density, high power, and high voltage gain converter can be built with the proposed circuit. Simulation results will be provided to validate the operating principle and features of the circuit.
Spectral analysis interpretation of electro-surgical generator nerve and muscle stimulation (1988)

The frequency spectra of two commercial electrosurgical generators were examined during stimulated tissue cutting and compared to radio-frequency animal nerve and muscle stimulation curves generated from high-frequency sinusoidal current. During electrosurgical cutting, significant energy can exist at the fundamental frequency, as well as at frequencies lower and greater than the fundamental, which may be stimulatory to both nerve and muscle tissue. Different types of biological loads did not seem to significantly affect the spectra of each individual electrosurgical unit (ESU). However, the interaction of a specific ESU output with the biological load when compared to a pure resistive load accounts for varying impedances and resultant modulations of the fundamental frequency. Reducing electrosurgical side effects and hazards may depend, in part, on a better understanding of these underlying mechanisms.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">&gt;</ETX>
Gamma-hydroxybutyrate (GHB) for prevention and treatment of alcohol withdrawal (2006)

This is a protocol for a Cochrane Review (Intervention). The objectives are as follows: To evaluate the efficacy and safety of GHB in prevention and treatment of the AWS, more specifically to compare the efficacy of GHB with placebo or other drugs; to identify the most effective GHB dosage and schedules; to estimate the incidence of side effects; to carry out a risk‐benefit analysis. ···
A novel cyclic γ-AApeptide-based long-acting pan-coronavirus fusion inhibitor with potential oral bioavailability by targeting two sites in spike protein (2022)

The receptor-binding domain (RBD) in S1 subunit and heptad repeat 1 (HR1) domain in S2 subunit of SARS-CoV-2 spike (S) protein are the targets of neutralizing antibodies (nAbs) and pan-coronavirus (CoV) fusion inhibitory peptides, respectively. However, neither nAb- nor peptide-based drugs can be used orally. In this study, we screened a one-bead-two-compound (OBTC) cyclic γ-AApeptide library against SARS-CoV-2 S protein and identified a hit: S-20 with potent membrane fusion inhibitory activity, but moderate selectivity index (SI). After modification, one derivative, S-20-1, exhibited improved fusion inhibitory activity and SI (>1000). S-20-1 could effectively inhibit infection by pseudotyped and authentic SARS-CoV-2 and pseudotyped variants of concern (VOCs), including B.1.617.2 (Delta) and B.1.1.529 (Omicron), as well as MERS-CoV, SARS-CoV, HCoV-OC43, HCoV-229E, and HCoV-NL63. It could also inhibit infection of a pseudotyped SARS-related coronavirus WIV1 (SARSr-CoV-WIV1) from bats. Intranasal application of S-20-1 to mice before or after challenge with HCoV-OC43 or SARS-CoV-2 provided significant protection from infection. Importantly, S-20-1 was highly resistant to proteolytic degradation, had long half-life, and possessed favorable oral bioavailability. Mechanistic studies suggest that S-20-1 binds with high affinity to RBD in S1 and HR1 domain in S2 of SARS-CoV-2 S protein. Thus, with its pan-CoV fusion and entry inhibitory activity by targeting two sites in S protein, desirable half-life, and promising oral bioavailability, S-20-1 is a potential candidate for further development as a novel therapeutic and prophylactic drug against infection by SARS-CoV-2 and its variants, as well as future emerging and reemerging CoVs.
Metabolic Abnormalities Related to Treatment With Selective Serotonin Reuptake Inhibitors in Patients With Schizophrenia or Bipolar Disorder (2016)

This study is the first to reveal significant associations between SSRI use and metabolic abnormalities in patients with schizophrenia or bipolar disorder. Although the effects were statistically significant, alterations were small. Thus, the clinical impact of the findings is most likely limited.