bluuebunny/crossref_metadata_2025_split huggingface dataset:
Controlling pH‐Sensitive Chemical Reactions Pathways with Light ‐ a Tale of Two Photobases: an Arrhenius and a Brønsted
Authors: Yucknovsky Anna , Amdursky Nadav 
Published: December 2023

AbstractLight‐gated chemical reactions allow spatial and temporal control of chemical processes. Here, we suggest a new system for controlling pH‐sensitive processes with light using two photobases of Arrhenius and Brønsted types. Only after light excitation do Arrhenius photobases undergo hydroxide ion dissociation, while Brønsted photobases capture a proton. However, none can be used alone to reversibly control pH due to the limitations arising from excessively fast or overly slow photoreaction timescales. We show here that combining the two types of photobases allows light‐triggered and reversible pH control. We show an application of this method in directing the pH‐dependent reaction pathways of the organic dye Alizarin Red S simply by switching between different wavelengths of light, i. e., irradiating each photobase separately. The concept of a light‐controlled system shown here of a sophisticated interplay between two photobases can be integrated into various smart functional and dynamic systems.
Sex and race differences in the performance of the European Society of Cardiology 0/1‐h algorithm with high‐sensitivity troponin T
Authors: Supples Michael W. , Snavely Anna C. , O'Neill James C. , Ashburn Nicklaus P. , Allen Brandon R. , Christenson Robert H. , Nowak Richard , Wilkerson R. Gentry , Mumma Bryn E. , Madsen Troy , Stopyra Jason P. , Mahler Simon A. 
Published: December 2023

AbstractThe diagnostic performance of the high‐sensitivity troponin T (hs‐cTnT) European Society of Cardiology (ESC) 0/1‐h algorithm in sex and race subgroups of US Emergency Department (ED) patients is unclear. A pre‐planned subgroup analysis of the STOP‐CP cohort study was conducted. Participants with 0‐ and 1‐h hs‐cTnT measures from eight US EDs (1/2017 to 9/2018) were stratified into rule‐out, observation, and rule‐in zones using the hs‐cTnT ESC 0/1 algorithm. The primary outcome was adjudicated 30‐day cardiac death or MI. The proportion with the primary outcome in each zone was compared between subgroups with Fisher's exact tests. The negative predictive value (NPV) of the ESC 0/1 rule‐out zone for 30‐day CDMI was calculated and compared between subgroups using Fisher's exact tests. Of the 1422 patients enrolled, 54.2% (770/1422) were male and 58.1% (826/1422) white with a mean age of 57.6 ± 12.8 years. At 30 days, cardiac death or myocardial infarction (MI) occurred in 12.9% (183/1422) of participants. Among patients stratified to the rule‐out zone, 30‐day cardiac death or MI occurred in 1.1% (5/436) of women versus 2.1% (8/436) of men (p = .40) and 1.2% (4/331) of non‐white patients versus 1.8% (9/490) of white patients (p = .58). The NPV for 30‐day cardiac death or MI was similar among women versus men (98.9% [95% confidence interval, CI: 97.3–99.6] vs. 97.9% [95% CI: 95.9–99.1]; p = .40) and among white versus non‐white patients (98.8% [95% CI: 96.9–99.7] vs. 98.2% [95% CI: 96.5–99.2]; p = .39). NPVs <99% in each subgroup suggest the hs‐cTnT ESC 0/1‐h algorithm may not be safe for use in US EDs. Trial Registration: High‐Sensitivity Cardiac Troponin T to Optimize Chest Pain Risk Stratification (STOP‐CP; ClinicalTrials.gov: NCT02984436; https://clinicaltrials.gov/ct2/show/NCT02984436).
Pressure Induced Alteration and Stabilization of Intermolecular Stacking in Square‐planar Osmium tetracarbonyl
Authors: Das Shovan , Pal Arun K. , Datta Ayan 
Published: December 2023

AbstractOsmium carbonyls are well known to form stable 18‐electron complexes like Os(CO)5, Os2(CO)9 and Os3(CO)12 having both bridging and terminal carbonyls. For osmium tetra‐carbonyl, Os(CO)4 solid‐state packing significantly alters the ground‐state structure. The gas‐phase stable see‐saw geometry converts to a square‐planar structure in solid state. Highly efficient intermolecular stacking between Os(CO)4 units assists this transformation. Each Os(CO)4 molecule is stacked in a staggered orientation with respect to each other. Pressure induces a [Xe]4f145d66s2 (S=2)→[Xe]4f145d8 (S=0) electronic transition in osmium stabilize a square planar osmium tetra‐carbonyl. Under the influence of isotropic pressure, the molecules not only come closer to each other but their relative orientations also get significantly altered. Calculations show that at P=1 GPa and above, the eclipsed orientation for the intermolecular stacking gets preferred over the staggered form. The staggered→eclipsed intermolecular stacking orientation under pressure is shown to be controlled by London dispersion interactions.
Enforcing Local DNA Kinks by Sequence‐Selective Trisintercalating Oligopeptides of a Tricationic Porphyrin: A Polarizable Molecular Dynamics Study**
Authors: Gresh Nohad , El Hage Krystel , Lagardère Louis , Brégier Frédérique , Godard Jérémy , Piquemal Jean‐Philip , Perrée‐Fauvet Martine , Sol Vincent 
Published: December 2023

AbstractBisacridinyl‐bisarginyl porphyrin (BABAP) is a trisintercalating derivative of a tricationic porphyrin, formerly designed and synthesized in order to selectively target and photosensitize the ten‐base pair palindromic sequence d(CGGGCGCCCG)2. We resorted to the previously derived (Far et al., 2004) lowest energy‐minimized (EM) structure of the BABAP complex with this sequence as a starting point. We performed polarizable molecular dynamics (MD) on this complex. It showed, over a 150 ns duration, the persistent binding of the Arg side‐chain on each BABAP arm to the two G bases upstream from the central porphyrin intercalation site. We subsequently performed progressive shortenings of the connector chain linking the Arg‐Gly backbone to the acridine, from n=6 methylenes to 4, followed by removal of the Gly backbone and further connector shortenings, from n=4 to n=1. These resulted into progressive deformations (‘kinks’) of the DNA backbone. In its most accented kinked structure, the DNA backbone was found to have a close overlap with that of DNA bound to Cre recombinase, with, at the level of one acridine intercalation site, negative roll and positive tilt values consistent with those experimentally found for this DNA at its own kinked dinucleotide sequence. Thus, in addition to their photosensitizing properties, some BABAP derivatives could induce sequence‐selective, controlled DNA deformations, which are targets for cleavage by endonucleases or for repair enzymes.
Changes in the eating disorder voice over time and the association of voice characteristics at baseline with clinical symptoms in patients with anorexia nervosa
Authors: Natali Ludovica , Ward Thomas , Rowlands Katie , Aya Viviana , Treasure Janet , Cardi Valentina 
Published: December 2023

AbstractObjectivePatients with eating disorders report the experience of living with an eating disorder voice, a second‐ or third‐person, negative commentary about eating, weight, shape and their implications for self‐esteem. Qualitative and cross‐sectional studies suggest that the severity and characteristics of the eating disorder voice might play a role in the maintenance of eating disorder symptoms. The goal of this study was to expand the evidence base as to how the eating disorder voice changes over time and whether the characteristics of the voice are associated with changes in eating disorder symptoms during treatment.MethodSeventy‐two patients with anorexia nervosa receiving intensive eating disorder treatment were recruited. They completed self‐report measures of eating disorder symptoms, psychological distress and eating disorder voice's severity and characteristics (e.g., malevolence, benevolence and omnipotence) at baseline and approximately 6 months later.ResultsOver time, patients reported lower levels of eating and weight concern (small effect size), shape concern (large effect size) and anxiety (small effect size).They also reported a reduction in the severity, perceived malevolence (medium effect size) and omnipotence (small effect size) of the eating disorder voice. Greater severity and malevolence of the voice, and lower benevolence at baseline predicted greater reductions in eating disorder symptoms (i.e., restraint and shape concern).ConclusionBeliefs about the eating disorder voice (i.e., malevolence) and severity of the voice appear to be malleable to treatment and are associated with a reduction of eating disorder symptoms. The potential of using dialogical approaches to target the eating disorder voice is discussed.
Comparison of Different Advanced Oxidation Processes (AOPs) and Photocatalysts for the Degradation of Diclofenac
Authors: Conte Francesco , Tommasi Matteo , Degerli Simge Naz , Forame Elia , Parolini Marco , De Felice Beatrice , Ramis Gianguido , Rossetti Ilenia 
Published: December 2023

AbstractDiclofenac sodium salt was photodegraded by means of advanced oxidation processes (AOPs), such as Fenton, photo‐Fenton and heterogeneous photocatalysis. For the latter different photocatalysts were compared, namely commercial titania P25 and titania metallized with gold (0.1 % Au/P25), silver (1 % Ag/P25) and palladium (0.1 % Pd/P25). Homogeneous treatments demonstrated effective in the degradation of the selected pollutant (>80 % conversion @2 h) when the irradiation occurred within the solution. Also, photo‐Fenton process assisted by visible light rather than UV was effective but slower and characterized by a toxicity of the residual solution due to unreacted H2O2. The photocatalyzed treatment performed at its best when P25 was used (70 % conversion @2 h), while modified photocatalysts reached the same conversion when H2O2 was added to the solution. Overall, in vitro toxicity tests using Daphnia Magna unveiled that the wastewater treated via M/TiO2 treatment and photo‐Fenton under UV in combination with H2O2 showed an acute toxicity comparable with the control group (almost 100 % viability @48 h). Conversely, the other processes failed to degrade completely either the pollutant or the hydrogen peroxide, leading to the mortality of 30–80 % of the individuals. An important outcome of the work is the direct comparison of different treatments to optimise the outcome, i. e. rapidity of degradation and non toxicity of the treated solution for living bodies.
Association of hard fescue (Festuca brevipila) stress tolerances with genome mapped markers
Authors: Bushman Bradley , Robbins Matthew , Qiu Yinjie , Watkins Eric , Hollman Andrew , Mihelich Nicole , Petrella Dominic , Breullin‐Sessoms Florence , Chou Ming‐Yi , Koch Paul 
Published: December 2023

AbstractHard fescue is an allo‐hexaploid, caespitose, cool‐season grass that is part of the fine‐leaved ovina complex of the Lolium–Festuca clade in Poaceae. It is predominantly used as a low‐maintenance turfgrass and soil stabilization grass in situations with reduced inputs of nitrogen and water. While often recommended for use under tree canopies, prolonged foliar shade can thin turf stands and reduce their functionality; furthermore, gray snow mold caused by Typhula incarnata can further affect hard fescue turfgrass functionality. In this study, we gathered a diverse population of hard fescue collections and varieties, which fit into four genetic structures. Because no genomic reference sequences exist for this species, a contig‐level pseudohaploid genomic reference was assembled from a plant of the hard fescue variety Beacon. With 98% benchmarking universal single‐copy orthologs (BUSCO) coverage from 241 contigs, this reference assembly was used to conduct genome‐wide association analysis. Thirty‐eight single‐nucleotide polymorphism (SNP) markers were associated with foliar shade response phenotypes, including SNPs near molybdate transporter and cytochrome P450 genes. Three SNP markers were associated with gray snow mold responses, with one located near a Protein Kinase G11 gene and corresponding to a 20% improvement in gray snow mold resistance.
Multiple physiological mechanisms involved in reproduction could be targeted for breeding heat tolerance in lima bean
Authors: Ernest Emmalea G. , Wisser Randall J. 
Published: December 2023

AbstractWith global warming, the impact of high‐temperature stress on crop production is one of the major issues facing agriculture. Combining a series of field and controlled environment experiments, the current study aimed at understanding causes of yield loss due to heat stress in lima bean (Phaseolus lunatus L.) in order to guide breeding for heat tolerance. A growth‐stage analysis of multi‐year field trials suggested that yields were reduced by sensitivity to heat during floral transition. High nighttime temperatures during this period were also associated with delayed pod set and subsequent harvest. These effects were validated in controlled environments, with additional tests revealing how nighttime heat stress generally reduces seeds per pod but can also reduce the number of pods set. Using an intra‐plant dual temperature treatment design for vegetative and reproductive organs, it was determined that effects on pollen viability and release are primary factors underlying heat stress‐associated yield losses in lima bean. Elevated nighttime temperatures did not reduce aboveground biomass, indicating the physiological basis for temperature sensitivity was not driven by a photosynthate deficit, but instead could be attributed to changes in source–sink dynamics. Still, the basis for sensitivity to heat differed among genotypes, opening new targets for a multi‐mechanistic breeding approach for heat tolerance.
Modeling and design of a photovoltaic‐fed single‐ended primary‐inductor converter for maximum power point tracking with current mode control
Authors: Rais Youssra , Mandal Kuntal , Zakriti Alia , Khamlichi Abdellatif , Al‐Numay Mohamed , El Aroudi Abdelali 
Published: December 2023

SummaryIn this work, the control of a Single‐Ended Primary‐Inductor Converter (SEPIC) supplied from a photovoltaic energy source and linked at its output to a DC current sink is addressed. The system is used for maximum power point tracking under varying environmental conditions. A strategy based on two loops of control is considered. A peak current mode controller is used for the inner loop, and a Proportional‐Integral (PI) controller is used for the outer voltage loop. Then, a comprehensive time‐domain and frequency‐domain modeling of the inner loop is theoretically addressed and then verified by the switched model of the system implemented in PSIM© software. The obtained results show that the system exhibits accurate tracking of the desired PV voltage while guaranteeing a fast maximum power point tracking under sudden changes in the environmental conditions. The mathematical modeling, design procedures, and the numerical simulations are validated using experimental results obtained from a laboratory prototype.
Comprehensive characterization and preclinical assessment of an imidazopyridine‐based anticancer lead molecule
Authors: Bulbule Ratik Ramesh , Jadav Tarang , Rajput Niraj , Das Rudradip , Chatterjee Deep Rohan , Shard Amit , Sengupta Pinaki 
Published: December 2023

AbstractImidazopyridine scaffold holds significant pharmacological importance in the treatment of cancer. An in‐house synthesized imidazopyridine‐based molecule was found to have promising anticancer activity against breast cancer, lung cancer, and colon cancer. The molecule is an inhibitor of pyruvate kinase M2, the enzyme that elevates tumor growth, metastasis and chemoresistance by directly controlling tumor cell metabolism. Screening of the physicochemical properties of any lead molecules is essential to avoid failure in late‐stage drug development. In this research, the physicochemical properties of the molecule including log P, log D, pKa, and plasma protein binding were assessed to check its drug‐likeness. Plasma and metabolic stability of the molecule were also evaluated. Moreover, pharmacokinetic profiles of the lead molecule in Sprague‐Dawley rats and in vitro metabolite identification studies were also performed. Finally, an in silico software, Pro‐Tox‐II, was used to predict toxicity of the molecule and its metabolites. Log P, Log D (pH 7.4), pKa, and plasma protein binding of the molecule were found to be 2.03%, 2.42%, 10.4%, and 98%, respectively. The molecule was stable in plasma and metabolic conditions. A total of nine new metabolites were identified and characterized. Cmax and t½ of this molecule were found to be 4016 ± 313.95 ng/mL and 9.57 ± 3.05 h, respectively. Based on the previously reported study and this finding, the molecule can be considered as a promising anticancer lead with potential drug‐likeness properties. Further preclinical and clinical drug discovery studies may be initiated in continuation of this study in search of a potential anticancer lead.
Sequence stratigraphical and palaeoenvironmental implications of Cenomanian–Santonian dinocyst assemblages from the Trans‐Sahara epicontinental seaway: a multivariate statistical approach
Authors: Usman Musa B. , Jolley David W. , Brasier Alexander T. , Boyce Adrian J. 
Published: December 2023

AbstractThe Cretaceous was punctuated by episodic flooding of continental margins forming epicontinental seas. The Trans‐Sahara Seaway was one of these epicontinental seas, connecting the Gulf of Guinea with the Tethys Ocean. In this study, data including microplankton abundances, stable carbon isotopes of organic material and elemental geochemistry were integrated with traditional sedimentological analyses from the Trans‐Sahara Seaway. The carbon isotopic data provide the first evidence that oceanic anoxic event 2 was present in the Trans‐Sahara Seaway, and palynology shows it was associated with an increase in peridinioid dinocyst abundance. A combined study of microplankton assemblages and sedimentology reveals palaeoenvironmental trends linked to sea‐level change. Lowstand system tracts were characterised by increased siliciclastic grain size, low microplankton diversity, and were dominated by Chlorophyceae. Transgressive system tracts were associated with diversity increases during rising sea level, with open marine gonyaulacoid dinocysts dominating the assemblages. Maximum flooding surfaces were recognised by the highest increase in biological diversity in argillaceous deposits. As sea level started to fall, the peridinioid dinocysts became dominant, with decreased microplankton diversity during highstand systems tracts. This combination of sedimentology and interpretation of dinocyst assemblages allows the identification of shallow to deeper marine depositional sequences of Cenomanian–Santonian strata within the Yola Sub‐basin. This approach could be used to delineate marine depositional sequences where using conventional sedimentological methods alone is very challenging.
Application of micro‐CT to resolve textural properties and assess primary sedimentary structures of deep‐marine sandstones
Authors: Cornard P. H. , Degenhart G. , Tropper P. , Moernaut J. , Strasser M. 
Published: December 2023

AbstractOver the past decade, there has been growing interest in the sedimentological community to use micro X‐ray computed tomography to analyse microfacies in sediment cores. However, little attention has been paid to the application of micro‐computed tomography in lithified deposits, even though this can allow their texture to be characterised in three dimensions, providing key information about sedimentary structures. A novel application of micro‐computed tomography in lithified sediment‐gravity flow deposits is presented with the objective of characterising their internal 3D sedimentary structures. This technique is applied to three deep‐marine sandstones showing different compositional properties: Cretaceous Gosau Group (Austria), Eocene Hecho Group (Spain) and the Oligocene Annot Formation (France). From micro‐computed tomography data the size of particles and their distribution throughout the sample is reconstructed in 3D permitting a better visualisation of sedimentary textures. Particle distributions computed from micro‐computed tomography are similar to those computed from thin section image analysis, corroborating the reliability of the micro‐computed tomography to evaluate grain‐size trends. Micro‐computed tomography is complemented with micro‐X‐ray fluorescence and thin section petrographic analyses. In cases where mineral composition or grain size are homogeneous or matrix and grains have similar mineral composition, sedimentary structures do not appear visible from micro‐X‐ray fluorescence or thin section analyses. By separating particles based on their computed tomography density, it is possible to isolate the coarsest fraction, highlighting the sedimentary structures. This study demonstrates (i) the potential of micro‐computed tomography in analyses of sedimentary structures from outcrop data and (ii) the importance of the mineralogical composition and degree of grain sorting in assessing the origin of structureless deposits. Considering the importance of visualising sedimentary structures when interpreting depositional processes, micro‐computed tomography is a new and reliable tool to assess the physical properties of sandstones and to analyse their internal 3D sedimentary structures.
Comparing the knowledge, attitudes, and practices of pediatric and family medicine clinicians toward atypical anorexia nervosa versus anorexia nervosa
Authors: Kons Kelly , Essayli Jamal , Shook Jennifer 
Published: December 2023

AbstractObjectiveTo investigate the knowledge, attitudes, and current practices of adolescent primary care providers regarding the epidemiology, clinical features, and diagnosis of atypical anorexia nervosa (AN) compared to AN.MethodsAn online survey was sent to the Pediatric and Family Medicine clinicians who provide medical care to adolescents. Statistical analyses compared differences in responses to questions about atypical AN versus AN.ResultsRelative to AN, participants (n = 67) were significantly less familiar with atypical AN, less likely to consider a diagnosis of atypical AN, less comfortable identifying atypical AN, less likely to counsel patients with atypical AN on health risks, less likely to refer patients with atypical AN to a specialist, and less likely to correctly identify atypical AN. Clinicians with more years in medical practice reported a significantly larger gap in familiarity between AN and atypical AN than clinicians with less than 5 years of practice.ConclusionsProviders who care for adolescents appear to be less familiar with and less likely to identify atypical AN compared to AN. This knowledge gap may be more pronounced among clinicians with more years practicing medicine due to the novelty of atypical AN as a diagnosis. Lack of knowledge surrounding atypical AN risk factors may result in delayed diagnosis and associated poor health outcomes. Future research should investigate strategies that improve knowledge and screening of atypical AN in medical and other settings.Public SignificancePediatric and Family Medicine clinicians are less familiar with atypical anorexia nervosa (AN) and less likely to diagnose a patient with atypical AN relative to AN. Insufficient knowledge about atypical AN may place these individuals at increased risk for worsening restrictive eating and the physical and psychological consequences of malnutrition.