bluuebunny/crossref_metadata_2025_split huggingface dataset:
Analyzing protein conjugation reactions for antibody‐drug conjugate synthesis using polarized excitation emission matrix spectroscopy
Authors: de Faria e Silva Ana L. , Ryder Alan G. 
Published: September 2022

AbstractAntibody‐drug conjugates (ADCs) are promising anticancer therapeutics, which offer important advantages compared to more classical therapies. There are a variety of ADC critical quality attributes (CQAs) such as the protein structure, aggregation, and drug‐to‐antibody ratio (DAR), which all impact on potency, stability, and toxicity. Production processes can destabilize antibodies via a variety of physical and chemical stresses, and or by increased aggregation after conjugation of hydrophobic drugs. Thus, a proper control strategy for handling, production, and storage is necessary to maintain CQA levels, which requires the use of in‐process quality measurements to first identify, then understand, and control the variables which adversely affect ADC CQAs during manufacturing. Here, we show how polarized excitation emission matrix (pEEM) spectroscopy, a sensitive, nondestructive, and potentially fast technique, can be used for rapidly assessing aggregation and DAR in a single measurement. pEEM provides several sources of information for protein analysis: Rayleigh scatter for identifying aggregate/particle formation and fluorescence emission to assess chemical and structural changes induced by attachment of a linker and/or a small molecule drug payload. Here, we used a nontoxic ADC mimic (monoclonal antibody with linker molecule) to demonstrate efficacy of the measurement method. Emission changes caused via light absorption by the attached linker, allowed us to predict DAR with good accuracy using fluorescence signal from the final purified products (6% relative error of prediction [REP]) and also from unpurified alkylation intermediates (11% REP). pEEM changes could also be correlated with size (hydrodynamic radius, Rh) and aggregate content parameters obtained from dynamic light scattering and size exclusion chromatography (SEC). For the starting material and purified product samples, pEEM correlated better with Rh (R2 = 0.99, 6% REP) than SEC determined aggregate content (18% REP). Combining both fluorescence and light scatter signals also enabled in‐process size quantification (6% REP). Overall, combining polarized measurements with EEM and Rayleigh scatter provides a single measurement, multi‐attribute test method for ADC manufacturing.
Incidence and outcomes of cardiogenic shock among women with spontaneous coronary artery dissection
Authors: Osman Mohammed , Syed Moinuddin , Simpson Timothy F. , Bhardwaj Bhaskar , Kheiri Babikir , Divanji Punag , Golwala Harsh , Zahr Firas , Cigarroa Joaquin E. 
Published: September 2022

AbstractBackgroundThere is a paucity of data on cardiogenic shock (CS) incidence and outcomes among patients with spontaneous coronary artery dissection (SCAD).MethodsWomen admitted to the hospital for acute myocardial infarction (AMI) with and without SCAD were identified from the United States National Readmission Database from October 1, 2015 to December 31, 2018. We calculated the incidence of CS among women with AMI with and without SCAD and odds for developing CS after adjusting for baseline characteristics. In addition, we report the utilization of percutaneous coronary intervention, mechanical circulatory support, severe disability surrogates, and 30‐day readmission rates.ResultsA total of 664,292 patients admitted for AMI were eligible for analysis, including 6643 patients with SCAD and 657,649 without SCAD. Patients with SCAD were younger (57 years [interquartile range, IQR 48–68] vs. 71 years [IQR 60–81], p < 0.01) and had fewer comorbidities yet had a higher incidence of CS as compared to patients without SCAD (9% vs. 5%, p < 0.01) and remained at elevated risk after adjusting for baseline comorbidities (adjusted odds ratio 1.5 [95% confidence interval, CI 1.2–1.7]). Among patients who developed CS, those with SCAD had lower in‐hospital mortality than non‐SCAD (31% vs. 39%, p < 0.01), and were more likely to receive mechanical circulatory support.ConclusionsIn a nationally representative sample of women admitted for AMI, we found that patients with SCAD had a higher risk of developing CS and required more frequent use of mechanical circulatory support but were more likely to survive to discharge than women suffering AMI from causes other than SCAD.
Characteristics and outcomes of patients presenting with acute myocardial infarction and cardiogenic shock during COVID‐19
Authors: Ahlers Michael J. , Srivastava Pratyaksh K. , Basir Mir B. , O'Neill William W. , Hacala Michael , Ammar Kareem , Khalil Suzan , Hollowed John , Nsair Ali 
Published: September 2022

AbstractObjectivesTo evaluate characteristics and outcomes of patients presenting with acute myocardial infarction and cardiogenic shock (AMICS) during the coronavirus disease 2019 (COVID‐19) pandemic.BackgroundThe COVID‐19 pandemic has created challenges in delivering acute cardiovascular care. Quality measures and outcomes of patients presenting with AMICS during COVID‐19 in the United States have not been well described.MethodsWe identified 406 patients from the National Cardiogenic Shock Initiative (NCSI) with AMICS and divided them into those presenting before (N = 346, 5/9/2016−2/29/2020) and those presenting during the COVID‐19 pandemic (N = 60, 3/1/2020−11/10/2020). We compared baseline clinical data, admission characteristics, and outcomes.ResultsThe median age of the cohort was 64 years, and 23.7% of the group was female. There were no significant differences in age, sex, and medical comorbidities between the two groups. Patients presenting during the pandemic were less likely to be Black compared to those presenting prior. Median door to balloon (90 vs. 88 min, p = 0.38), door to support (88 vs. 78 min, p = 0.13), and the onset of shock to support (74 vs. 62 min, p = 0.15) times were not significantly different between the two groups. Patients presented with ST‐elevation myocardial infarction more often during the COVID‐19 period (95.0% vs. 80.0%, p = 0.005). In adjusted logistic regression models, COVID‐19 period did not significantly associate with survival to discharge (odds ratio [OR] 1.09, 95% confidence interval [CI] 0.54−2.19, p = 0.81) or with 1‐month survival (OR 0.82, 95% CI 0.42−1.61, p = 0.56).ConclusionsCare of patients presenting with AMICS has remained robust among hospitals participating in the NCSI during the COVID‐19 pandemic.
Synthesis of Dihydropyrazoles via Pd‐Catalyzed Heterocyclization/Carbonylation Reaction: Development and Parameterization Studies
Authors: Barboza Amanda A. , Dantas Juliana A. , Jardim Guilherme A. M. , Neto Attilio C. , Oliveira Willian X. C. , Gensch Tobias , Ferreira Marco A. B. 
Published: September 2022

AbstractA Pd‐catalyzed heterocyclization/carbonylation cascade reaction encompassing the formation of 3 new bonds, affording dihydropyrazole‐esters in moderate to excellent yields and good functional group tolerance is described, comprising a new methodology for direct access to esterified heterocycles using alcohols as readily available feedstock. Optimization was carried out along with a phosphine/base parameterization study, providing important structure‐reactivity insights for pyridine‐bases, mono‐ and bisphosphines.
Labile Base‐Stabilized Silyliumylidene Ions. Non‐Metallic Species Capable of Activating Multiple Small Molecules
Authors: Nougué Raphaël , Takahashi Shintaro , Dajnak Aymeric , Maerten Eddy , Baceiredo Antoine , Saffon‐Merceron Nathalie , Branchadell Vicenç , Kato Tsuyoshi 
Published: September 2022

AbstractSeveral base‐stabilized silyliumylidene ions (2 and 3) with different ligands were synthesized. Their behaviour appeared strongly dependent on the nature of ligand. Indeed, in contrast to the poorly reactive silyliumylidene ions 3 c,d stabilized by strongly donating ligands (DMAP, NHC), the silylene‐ and sulfide‐supported one (2‐H and 3 a) exhibits higher reactivity toward various small molecules. Furthermore, their capability to successively activate multiple small molecules was clearly demonstrated by processes involving successive reactions with silane/formamide, CO2 and H2. Moreover, HBPin adduct of 3 a (8‐C) catalyzes the hydroboration of pyridine. Of particular interest, silylene‐supported silyliumylidene complex 2‐H is one of the rare species able to activate two H2 molecules.
Development of an Ontology for Biocatalysis
Authors: Menke Marian J. , Behr Alexander S. , Rosenthal Katrin , Linke David , Kockmann Norbert , Bornscheuer Uwe T. , Dörr Mark 
Published: September 2022

AbstractEnzyme activity data for biocatalytic applications are currently often not annotated with standardized conditions and terms. This makes it extremely hard to retrieve, compare, and reuse enzymatic data. With advances in the fields of artificial intelligence (AI) and machine learning (ML), the automated usability of data in the form of machine‐readable annotations will play a crucial role for their success. It is becoming increasingly easy to retrieve complex data sets and extract relevant information; however, standardized data readability is a current limitation. In this contribution, we outline an iterative approach to develop standardized terms and create semantic relations (ontologies) to achieve this highly desirable goal of improving the discoverability, accessibility, interoperability, and reuse of digital resources in the field of biocatalysis.
Chemical engineering for the Anthropocene
Authors: Horio Masayuki , Clift Roland 
Published: September 2022

AbstractThe environmental and resource crises that confront human life on earth demand changes to the whole socio‐economic metabolic system. The changes will affect all aspects of life, including the practice of chemical engineering. The historical association of the profession with the fossil carbon economy means that the expertise that makes up chemical engineering must be re‐examined and repurposed urgently if the discipline is to play a full role in the socio‐economic transition. In this article, we review the historical development of chemical engineering to identify its unique features and find ways in which it can change to meet the challenge. A pattern of 30‐year cycles in the development of the discipline is revealed, showing the way it has built up by incorporating approaches from other disciplines and also developing a unique set of skills and knowledge. Chemical engineering as taught needs to prepare graduates to operate under the kind of social contract embodied in declarations by professional bodies. We propose ways in which the expertise comprising chemical engineering can be applied in the ‘just transition’ to a less unsustainable society, including new approaches to plant and process design and also applications ‘outside the pipe’ to environmental modelling and industrial ecology. The unsustainability crisis results from a history of poor public and private decisions, so examination of the different types of decisions is timely. Specific roles for chemical engineers in deliberative decision processes are identified, including enhanced emphasis on risk and precaution.
Kinetic investigation of CO2 and N2 clathrate hydrate formation using cyclopentane: Application in desalination
Authors: Paul Lagnajita , Gaikwad Namrata , Kumar Rajnish 
Published: September 2022

AbstractHydrate‐based desalination could be a promising technique for producing fresh water from saline water, as it is an eco‐friendly process and suitable for large‐scale implementation. To make the hydrate‐based desalination technology easily scalable, we looked at using air (or N2) or CO2 as a hydrate former, along with cyclopentane (CP). Hydrate former CP helps to reduce the operating conditions, as CP forms hydrate at ambient pressure. However, hydrate formation kinetics due to water‐insoluble CP is slow. In this work, the kinetics of hydrate formation in saline water were investigated and compared to identify the utility of CO2 and N2 as hydrate formers for desalination work. The addition of CP as a hydrate former should transform the structure of CO2 hydrate from structure I (sI) to structure II (sII), as CP occupies the large cages (51264) in the gas hydrate. A set of three similar reactors were used for this study to collect data quickly. Furthermore, the triple reactor setup is a unique reactor design mounted on a shaker, and a set of SS‐316 balls present inside the horizontal reactor imparts the mixing. Experiments with the CO2‐CP mixture and N2‐CP mixture have been studied in the presence or absence of 3 wt.% NaCl at 274 K and 3 MPa pressure. The gas uptake kinetics, water recovery, and separation efficiency have been investigated.
PROTOCOL: The support needs of families living with parental mental illness: A qualitative systematic review
Authors: Loudon Emma , Davidson Gavin , Higgins Kathryn , Grant Anne 
Published: September 2022

AbstractThis is the protocol for a Campbell systematic review. The objectives are as follows: To review existing qualitative research on the experiences of families living with parental mental illness from the perspective of (i) children, (ii) parents who have a mental illness) and (ii) the well parent. To synthesise qualitative evidence on the experience of living with parental mental illness and the experience of and attitude towards services from the perspective of (i) children, (ii) parents who have a mental illness and (ii) the well parent in order to develop the understanding of the needs of families and the implications for service provision.
Bibliometric analysis of rumor detection via web of science from 1989 to 2021
Authors: Rani Neetu , Bhardwaj Amit Kumar , Das Prasenjit , Sharma Anju 
Published: September 2022

SummaryThrough the enhancement of numerous social media sites, the rumor spread more rapidly among society and influences people in a very negative way. Nowadays, more attention is given by researchers to mitigating the threats produced by rumors. Bibliometric analysis is a prevalent and rigorous technique for discovering and investigating large volumes of systematic data. It assists us to identify the important aspects of that particular field. Motivated by earlier research we used this approach for our present study. The present study shows bibliometric analysis through VOSviewer software of 2935 records related to rumor dissemination by collecting the data from the web of science from 1989 to 2021. The bibliometric results have shown publication trends, main journals, most cited articles, most productive country, prominent authors, and institutions. Further net map analysis illustrates the growth of rumor detection in past, present, and future as well. Bibliometric and network analysis results from this research will significantly facilitate understanding the progress and trends in rumor detection.
Performance comparison of thermal power generation‐organic Rankine cycle combined cycle system for ships waste heat utilization under different bottom cycle ratios
Authors: Li Huaan , Liu Changxin , Xu Zhenhong , Liu Jianhao , Du Zhenyu , Li Mengze , Dong Jingming , Han Zhitao , Xu Minyi , Pan Xinxiang 
Published: September 2022

AbstractWaste heat recovery technology has gained popularity due to its ability to save energy for both financial and environmental reasons. In this article, a new technology, thermal power generation (TEG)‐organic Rankine cycle (ORC) combined cycle system, is proposed to recycle cascaded waste heat of ships. The bottom cycle ratios are an important parameter affecting the combined cycle system, but its effect under more working conditions is unknown. Therefore, keeping the evaporator pressure at 0.7 MPa, the environmental‐friendly R245fa working fluid is employed to implement an experimental study on the variation law of the main performance parameters such as the system power output (Wnet), the system thermal efficiency (ηs), power‐production cost (Cg), and waste heat utilization of main engine flue gas (fg) under different TEG/ORC bottom cycle ratios (BCR). At the same time, the TEG‐ORC combined cycle system's performance of the R22 and R245fa is compared. With the increase of the BCR, the Wnet, ηs, and fg increase, but the Cg of the system decreases. When the BCR is 0.885, the Wnet, ηs, Cg, and the rate of fg is 688.4 W, 9.09%, 0.5194 $/kWh, and 85.07%, respectively. This study provides a reference for the clarification and further optimization of the TEG‐ORC combined cycle mechanism.
Lemna aequinoctialis migrates further into temperate continental Europe—A new alien aquatic plant for Ukraine
Authors: Fedoniuk Tetiana , Bog Manuela , Orlov Oleksandr , Appenroth Klaus Juergen 
Published: September 2022

AbstractThe article presents the results of studies of a series of species identifications of the genus Lemna (Lemnaceae) conducted in 2019. Duckweed samples were taken from eight localities in the northern regions of Ukraine and identified to species using morphological and molecular markers (barcoding). A new alien species of duckweed for Ukraine—lesser duckweed (Lemna aequinoctialis Welw.)—was discovered, to which this study is devoted. All other samples belonged to Lemna minor. The article presents the most complete description of the distribution of L. aequinoctialis Welw. in Europe, and also contains updated data on the species distribution of duckweeds in Ukraine. Six species of the genus Lemna are now known in Ukraine—three native and three alien. The ecological requirements of L. aequinoctialis are similar to those of L. minor. We examined the morphological similarities and differences between these species, and confirmed the results by molecular barcoding using the plastid regions of the atpF‐atpH and psbK‐psbI intergenic spacers.
Trauma Matters: Integrating Genetic and Environmental Components of PTSD
Authors: Marchese Shelby , Huckins Laura M. 
Published: September 2022

AbstractTrauma is ubiquitous, but only a subset of those who experience trauma will develop posttraumatic stress disorder (PTSD). In this review, it is argued that to determine who is at risk of developing PTSD, it is critical to examine the genetic etiology of the disorder and individual trauma profiles of those who are susceptible. First, the state of current PTSD genetic research is described, with a particular focus on studies that present evidence for trauma type specificity, or for differential genetic etiology according to gender or race. Next, approaches that leverage non‐traditional phenotyping approaches are reviewed to identify PTSD‐associated variants and biology, and the relative advantages and limitations inherent in these studies are reflected on. Finally, it is discussed how trauma might influence the heritability of PTSD, through type, risk factors, genetics, and associations with PTSD symptomology.
Attentional M100 gain modulation localizes to auditory sensory cortex and is deficient in first‐episode psychosis
Authors: Curtis Mark T. , Ren Xi , Coffman Brian A. , Salisbury Dean F. 
Published: September 2022

AbstractSelective attention is impaired in first‐episode psychosis (FEP). Selective attention effects can be detected during auditory tasks as increased sensory activity. We previously reported electroencephalography scalp‐measured N100 enhancement is reduced in FEP. Here, we localized magnetoencephalography (MEG) M100 source activity within the auditory cortex, making novel use of the Human Connectome Project multimodal parcellation (HCP‐MMP) to identify precise auditory cortical areas involved in attention modulation and its impairment in FEP. MEG was recorded from 27 FEP and 31 matched healthy controls (HC) while individuals either ignored frequent standard and rare oddball tones while watching a silent movie or attended tones by pressing a button to oddballs. Because M100 arises mainly in the auditory cortices, MEG activity during the M100 interval was projected to the auditory sensory cortices defined by the HCP‐MMP (A1, lateral belt, and parabelt parcels). FEP had less auditory sensory cortex M100 activity in both conditions. In addition, there was a significant interaction between group and attention. HC enhanced source activity with attention, but FEP did not. These results demonstrate deficits in both sensory processing and attentional modulation of the M100 in FEP. Novel use of the HCP‐MMP revealed the precise cortical areas underlying attention modulation of auditory sensory activity in healthy individuals and impairments in FEP. The sensory reduction and attention modulation impairment indicate local and systems‐level pathophysiology proximal to disease onset that may be critical for etiology. Further, M100 and N100 enhancement may serve as outcome variables for targeted intervention to improve attention in early psychosis.
Employee behavior in employee stock option plans: Why do some employees acquire company stock?
Authors: Pendleton Andrew , Robinson Andrew 
Published: September 2022

AbstractThe article focuses on decisions to exercise and hold company stock at the maturity of a broad‐based employee stock options plan. It investigates why some participants choose an uncertain and risky future reward when an immediate and certain increase in wealth could be secured at exercise. It draws on and expands the “mixed gambles” perspective in behavioral agency theory, utilizing a combination of stock price data and employee survey data from British companies with tax‐approved stock option plans. It is found that the decision to take a gamble is influenced (negatively) by the extent of stock price lows (relative to prices at exercise) in the year prior to exercise, and by the risk preferences of the option holder. The findings contribute to further development of the “mixed gambles” perspective as an explanation of stock option behavior, showing that individual characteristics as well as some stock price movements affect behavior.
Sediment concentrations and transport in icebergs, Scoresby Sound, East Greenland
Authors: Hasholt Bent , Nielsen Troels F. , Mankoff Kenneth D. , Gkinis Vasileios , Overeem Irina 
Published: September 2022

AbstractGlaciers erode their beds and the adjacent landscape by abrasion and plucking and entraining sediment on their way downwards driven by gravity. Ice becomes a sediment transport agent. To determine glacial transport of sediment, measurements of both the ice flux and its concentration of sediment are needed. Once glaciers reach the ocean, ice and its entrained sediment is released into the ocean by calving. Further transport takes place by icebergs. Quantification of IRD (ice‐rafted debris) fluxes, which upon ultimate deposition on the ocean floor is an important climate indicator, becomes even more complicated as icebergs topple and differentially melt while being in transport. While the volume of tidewater glacier ice released by recent calving is quite well constrained by satellite measurements, there is a lack of measurements of the concentration of sediment within the moving ice. Here, we describe a method to collect samples of ice from icebergs systematically for the first time in Greenland together with a strategy to obtain representative samples. Our method is tested in Scoresby Sound, East Greenland in order to describe the transport of sediment into the fjord system related to calving from known glacial source areas. Our data clearly demonstrate that biased and sparse sampling potentially produces unrealistic values of sediment concentrations. Seventy‐two samples from 24 icebergs had an average concentration of sediment of 35.5 g/L of ice with a standard deviation of 97%, between the 24 individual icebergs. The origin of the sediment is related to specific source areas. Based on the samples, we present an estimate of the annual transport of sediment out of Scoresby Sound related to calving ~100 (0.3–200) million t year−1. Finally, we discuss the uncertainties of our estimate.