bluuebunny/crossref_metadata_2025_split huggingface dataset:
Photochemical Nitration of Protected Anilines by 5‐Methyl‐1,4‐dinitroimidazole
Authors: Fan Xinlong , Zhao Yue , Liu Lei , Wang Huan 
Published: January 2023

Comprehensive SummaryNitroanilines are important building blocks in pharmaceuticals, materials and dyes. Nitration methods for anilines under mild conditions are highly desired. Herein, we report a photochemical method for the nitration of anilines bearing various protecting groups by 5‐methyl‐1,4‐dinitroimidazole as a new type of nitro source. This method is light‐controlled and proceeds under mild reaction conditions with high efficiency. Fmoc‐, Ts‐ and alkyl‐protected anilines are all well nitrated with good functional group tolerance.
A Talenti Comparison Result for Solutions to Elliptic Problems with Robin Boundary Conditions
Authors: Alvino Angelo , Nitsch Carlo , Trombetti Cristina 
Published: January 2023

AbstractComparison results of Talenti type for elliptic problems with Dirichlet boundary conditions have been widely investigated in recent decades. In this paper, we deal with Robin boundary conditions. Surprisingly, contrary to the Dirichlet case, Robin boundary conditions make the comparison sensitive to the dimension, and while the planar case seems to be completely settled, in higher dimensions some open problems are yet unsolved. © 2023 The Authors. Communications on Pure and Applied Mathematics published by Wiley Periodicals LLC.
Biosimilarity Assessment of the Biosimilar Teriparatide Candidate and the Reference Drug in Healthy Subjects
Authors: Wang Xuan , Liang Xintong , Wang Tenghua , Zhan Yaoxuan , Liu Haiyan , Li Chen , Li Xianbo , Ma Hui , Hu Zhiqin , Wang Xiaole , Xiao Shuangshuang , Ban Li , He Jin , Li Yongmei , Fang Yi 
Published: January 2023

AbstractSAL001, a recombinant form of parathyroid hormone, is a biosimilar drug to teriparatide and is planned to be used in osteoporosis treatment. A single‐dose, randomized, open‐label, 2‐way crossover trial was conducted in healthy subjects to compare the pharmacokinetics (PK) and safety between SAL001 and the reference drug. Sixty‐four subjects were enrolled in the study, and 61 subjects completed the study. In each period, 20 μg of the test or reference formulation was administered subcutaneously. SAL001 was administered by autoinjector pen, whereas the reference drug was administered by a self‐matched injection pen. Serial blood samples were obtained for the analyses of PK and serum calcium concentration. Geometric mean ratios with 90%CIs for the maximum plasma concentration (Cmax) and area under the plasma concentration–time curve (AUC) were estimated. The safety of these 2 formulations was also evaluated. Overall, the 90%CIs for the geometric mean ratios of Cmax, AUC from time 0 to the last quantifiable time point, and AUC from time 0 extrapolated to infinity of the test or reference product were within 80.0%–125.0% of biosimilarity criteria. Other PK parameters, serum calcium concentration, and safety profiles had no significant differences between the 2 formulations. SAL001 demonstrated PK similarity to the reference drug, and the serum calcium concentration and safety profiles of SAL001 were also considered comparable to the reference drug.
Adsorption of Carbamazepine in All‐Silica Zeolites Studied with Density Functional Theory Calculations**
Authors: Fischer Michael 
Published: January 2023

AbstractThe anticonvulsant drug carbamazepine (−) is an emerging contaminant of considerable concern due to its hazard potential and environmental persistence. Previous experimental studies proposed hydrophobic zeolites as promising adsorbents for the removal of carbamazepine from water, but only a few framework types were considered in those investigations. In the present work, electronic structure calculations based on dispersion‐corrected density functional theory (DFT) were used to study the adsorption of CBZ in eleven all‐silica zeolites having different pore sizes and connectivities of the pore system (AFI, ATS, BEA, CFI, DON, FAU, IFR, ISV, MOR, SFH, SSF framework types). It was found that some zeolites with one‐dimensional channels formed by twelve‐membered rings (IFR, AFI) exhibit the highest affinity towards CBZ. A “good fit” of CBZ into the zeolite pores that maximizes dispersion interactions was identified as the dominant factor determining the interaction strength. Further calculations addressed the role of temperature (for selected systems) and of guest‐guest interactions between coadsorbed CBZ molecules. In addition to predicting zeolite frameworks of particular interest as materials for selective CBZ removal, the calculations presented here also contribute to the atomic‐level understanding of the interaction of functional organic molecules with all‐silica zeolites.
The neural representations underlying asymmetric cross‐modal prediction of words
Authors: Shi Liang , Liu Chuqi , Peng Xiaojing , Cao Yifei , Levy Daniel A. , Xue Gui 
Published: January 2023

AbstractCross‐modal prediction serves a crucial adaptive role in the multisensory world, yet the neural mechanisms underlying this prediction are poorly understood. The present study addressed this important question by combining a novel audiovisual sequence memory task, functional magnetic resonance imaging (fMRI), and multivariate neural representational analyses. Our behavioral results revealed a reliable asymmetric cross‐modal predictive effect, with a stronger prediction from visual to auditory (VA) modality than auditory to visual (AV) modality. Mirroring the behavioral pattern, we found the superior parietal lobe (SPL) showed higher pattern similarity for VA than AV pairs, and the strength of the predictive coding in the SPL was positively correlated with the behavioral predictive effect in the VA condition. Representational connectivity analyses further revealed that the SPL mediated the neural pathway from the visual to the auditory cortex in the VA condition but was not involved in the auditory to visual cortex pathway in the AV condition. Direct neural pathways within the unimodal regions were found for the visual‐to‐visual and auditory‐to‐auditory predictions. Together, these results provide novel insights into the neural mechanisms underlying cross‐modal sequence prediction.
Hysteroscopy after conservative surgical treatment of severe postpartum hemorrhage due to uterine atony: A systematic literature review
Authors: Zouaghi Chiheb , Chaouch Mohamed Ali , Sanchez Stephane , Zouaghi Sondes 
Published: January 2023

AbstractObjectiveTo assess the prevalence of intrauterine anomalies, primarily intrauterine adhesions (IUAd), after conservative surgical treatment of severe postpartum hemorrhage with uterine atony (SPPH‐UA) and determine patient eligibility for hysteroscopy.MethodsPubMed and the Cochrane Library were searched by combining keywords “postpartum hemorrhage”, “uterine atony”, and “hysteroscopy” to perform a literature review. Articles in French and English with more than five cases of hysteroscopy following SPPH‐UA were selected. All cases that had hysteroscopy after conservative surgical treatment of SPPH‐UA were collected. A blinded statistical analysis revealed IUAd risk factors.ResultsIn all, 83% of patients agreed to hysteroscopy and 38% of 71 cases had an IUAd. Age was not a risk factor (P = 0.950). Other factors included multiparity (odds ratio [OR] 1.93, P = 0.039), cesarean delivery (OR 3.58, P = 0.584) and postpartum infection (OR 3.33, P = 0.04). Risk was at 57% after uterine padding with multiple transfixing square stitches (Cho‐technique) (P = 0.001), 6% after non‐transfixing uterine folding brace suture (B‐Lynch technique) when used alone, 29% after uterine artery embolization and after internal iliac artery ligation (OR 0.98, P = 0.645); uterine vascular ligation (OR 0.69, P = 0.253) and more than two procedures (OR 0.69, P = 2.53). Disparity between authors was observed (P = 0.015) and concerned only the surgical techniques used.ConclusionA classification is proposed for deciding post‐SPPH hysteroscopy. Further studies are required to determine appropriateness.
Evaporative loss and environmental impact of covers on water storages: A review
Authors: Pittaway Pamela , Scobie Michael , Schmidt Erik 
Published: January 2023

AbstractCommercial products to reduce evaporation from water storages have been developed since the 1960s. Categorised as suspended and floating continuous covers, floating modular covers, and monomolecular (monolayer) and multimolecular chemical films, product adoption by agricultural water managers is low. The role of evaporation reduction in improving water use efficiency is well established, but information on the suitability of product categories for farm water storages is lacking. We reviewed the environmental and operational performance of commercial evaporation reduction products using published and supplier information on design, mode of action, installation, operation, maintenance, the evaporation reduction achieved, and the impact on water quality, to analyze the suitability of the five product classes for water storages ranging in size from ≤2 to 100 ha. Span loading, cable tensioning and anchorage limit continuous covers to storages ≤2 ha. The cover fabric must reduce light transmittance by 80%, to reduce evaporation by 71%. Ballasting, tethering, and removal during dry times limit the use of continuous floating covers to storages ≤2 ha, managed close to full capacity. Floating modules must cover 88% of the surface to reduce evaporation by 70%, limiting their use to storages of ≤5 ha. Monolayer application is more flexible, but smart product selection and automated application strategies are required to improve performance. The number of application sites required to achieve full surface coverage limits monolayer use to storages ≤100 ha. Higher rates of application and poor self‐spreading may limit multimolecular films to storages ≤10 ha.
The remarkable journey of one female individual with ornithine transcarbamylase deficiency diagnosed post‐mortem
Authors: Forsyth RaeLynn , Peretz Ryan H. , Dempsey Angela , Britton Jacquelyn , Kratz Lisa , Hamosh Ada , Vernon Hilary , Batshaw Mark L. , Valle David 
Published: January 2023

AbstractUrea cycle disorders (UCDs) comprise a group of inborn errors of metabolism with impaired ammonia clearance and an incidence of ~1:35 000 individuals. First described in the 1970s, the diagnosis and management of these disorders has evolved dramatically. We report on a 59‐year‐old woman with a UCD who contributed to advances in the understanding and treatment of this group of disorders. This individual was diagnosed with carbamoyl phosphate synthetase 1 deficiency based on a biochemical assay under a research context predating genetic sequencing, treated longitudinally as having this metabolic disorder, and was among the first participants to trial UCD pharmaceutical therapies. She ultimately succumbed to a SARS‐CoV‐2 infection while maintaining unexpectedly normal ammonium levels. Postmortem genetic testing revealed ornithine transcarbamylase deficiency. This individual's contributions to the field of UCDs is discussed herein.
Watershed DOC uptake occurs mostly in lakes in the summer and in rivers in the winter
Authors: Maavara Taylor , Brinkerhoff Craig , Hosen Jacob , Aho Kelly , Logozzo Laura , Saiers James , Stubbins Aron , Raymond Peter 
Published: January 2023

AbstractRiver networks transport dissolved organic carbon (DOC) from terrestrial uplands to the coastal ocean. The extent to which a reach or lake within a river network uptakes DOC depends on the stream order, the seasonal conditions, and the flow. At the watershed scale, it remains unclear whether DOC uptake is dominated by biological processes such as respiration, or abiotic processes like photomineralization. The partitioning of DOC uptake in lakes vs. rivers is also unclear. In this study, we present a new model that unifies year‐round controls on DOC cycling for an entire river network, including river–lake connectivity, to elucidate the importance of biotic vs. abiotic controls on DOC uptake. We present the Catchment UPtake and Sinks by Season, Order, and Flow for DOC (CUPS‐OF‐DOC) model, which quantifies terrestrial DOC loading, gross primary productivity, and uptake via microbes and photomineralization. The model is applied to the Connecticut River Watershed, and accounts for cascading reach‐ and lake‐scale DOC cycling across 98 scenarios spanning combinations of flows, seasons, and stream orders. We show that riverine DOC uptake is nearly constant with stream order, but the proportion of DOC uptake from photomineralization varies. Photomineralization dominates in rivers in most flow conditions and stream orders, especially in winter, accounting for at least half of whole‐watershed DOC uptake in February across all flows. Whole‐watershed summer DOC uptake occurs mostly via biomineralization in lakes, accounting for 80% of DOC uptake during the growing season, despite accounting for less than 6% of watershed open water surface area.
Design, synthesis, and applications of ring‐functionalized histidines in peptide‐based medicinal chemistry and drug discovery
Authors: Sharma Komal , Sharma Krishna K. , Mahindra Amit , Sehra Naina , Bagra Nitin , Aaghaz Shams , Parmar Rajesh , Rathod Gajanan K. , Jain Rahul 
Published: January 2023

AbstractModified and synthetic α‐amino acids are known to show diverse applications. Histidine, which possesses numerous applications when subjected to synthetic modifications, is one such amino acid. The utility of modified histidines varies widely from remarkable biological activities to catalysis, and from nanotechnology to polymer chemistry. This renders histidine residue an important place in scientific research. Histidine is a well‐studied scaffold and constitutes the active site of various enzymes catalyzing important reactions in the biological systems. A rational modification in histidine structure with a distinctly developed protocol extensively changes its physical and chemical properties. The utilization of modified histidines in search of potent, target selective and proteostable scaffolds is vital in the development of bioactive peptides with enhanced drug‐likeliness. This review is a compilation and analysis of reported side‐chain ring modifications at histidine followed by applications of ring‐modified histidines in the synthesis of various categories of bioactive peptides and peptidomimetics.
VDDB: A comprehensive resource and machine learning tool for antiviral drug discovery
Authors: Tao Shunming , Chen Yihao , Wu Jingxing , Zhao Duancheng , Cai Hanxuan , Wang Ling 
Published: January 2023

AbstractVirus infection is one of the major diseases that seriously threaten human health. To meet the growing demand for mining and sharing data resources related to antiviral drugs and to accelerate the design and discovery of new antiviral drugs, we presented an open‐access antiviral drug resource and machine learning platform (VDDB), which, to the best of our knowledge, is the first comprehensive dedicated resource for experimentally verified potential drugs/molecules based on manually curated data. Currently, VDDB highlights 848 clinical vaccines and 199 clinical antibodies, as well as over 710,000 small molecules targeting 39 medically important viruses including severe acute respiratory syndrome coronavirus 2. Furthermore, VDDB stores approximately three million records of pharmacological data for these collected potential antiviral drugs/molecules, involving 314 cell infection‐based phenotypic and 234 target‐based genotypic assays. Based on these annotated pharmacological data, VDDB allows users to browse, search, and download reliable information about these collects for various viruses of interest. In particular, VDDB also integrates 57 cell infection‐ and 117 target‐based associated high‐accuracy machine learning models to support various antivirals identification‐related tasks, such as compound activity prediction, virtual screening, drug repositioning, and target fishing. VDDB is freely accessible at https://vddb.idruglab.cn.
Leader–member exchanges with leaders who have worked for 25 years in health institutions
Authors: Vasset Frøydis , Fagerstrøm Lisbeth , Frilund Marianne 
Published: January 2023

AbstractAimThe aim is to investigate long‐term leader experiences with leader– member exchanges (LMX) over 25 years. Leader–member exchanges focus on relational power and communication exchanges between leaders and employees when they communicate with each other or perform an action.DesignThis qualitative study is characterized by a phenomenological hermeneutical design and is based on the informants' interpretation and construction of meaning.MethodA qualitative study with eight interviews with supreme nurse leaders from the Norwegian and Finnish health care services.ResultThe data analysis and interpretation show that relationships are built through trust, dialogue and confirmation and are affected by other contextual aspects such as the organizational size or workload and human factors such as safety, angst, and self‐esteem. The informants fight for their subordinates. Interprofessional management and obtaining good relations with the doctors was challenging. No Patient or Public Contribution
The BESST REU: Promoting soil science learning and shifts in attitudes toward science
Authors: Overbay Amy , Duckworth Owen , Heitman Joshua L. 
Published: January 2023

AbstractPrograms that emphasize the important, multifaceted roles that soils play as the interfaces between humanity and the earth are needed to attract new students from diverse backgrounds. The Basic and Environmental Soil Science Training Research Experience for Undergraduates (BESST REU) site aims to provide undergraduates from a variety of science, technology, engineering, and mathematics disciplines with a substantive research experience on modern soil science while developing professional and technical skills. Here, we examine data from the first five BESST cohorts pre‐ and post‐activity surveys, assessing effects of the experience on students’ research skills, knowledge about soil science, and science self‐efficacy. Results suggest that both program‐wide, common experiences, such as our geomorphology field camp, and specific, individual, mentored research experiences were important to student outcomes. Students experienced significant increases in their capacity to conduct research, knowledge about soil science, and confidence in carrying out scientific tasks. Further, qualitative data suggest that the program fundamentally impacted how students saw themselves and understood the task of “doing science.” Experiences provided by REU programs such as BESST are valuable to help students refine their personal goals and understanding of communication and collaboration within research. BESST also helped students to better understand and communicate the role of soil scientists.
Impact of Tumor‐Infiltrating Lymphocytes on Disease Progression in Human Papillomavirus‐Related Oropharyngeal Carcinoma
Authors: Yin Linda X. , Rivera Michael , Garcia Joaquin J. , Bartemes Kathleen R. , Lewis Derrick B. , Lohse Christine M. , Routman David M. , Ma Daniel J. , Moore Eric J. , Van Abel Kathryn M. 
Published: January 2023

AbstractObjectiveWe aim to explore the prognostic value of tumor‐infiltrating lymphocytes (TILs) in the primary tumor and metastatic lymph nodes of patients with HPV(+)OPSCC. We hypothesize that TILS density at both sites is associated with disease‐free survival in HPV(+)OPSCC.Study DesignMatched case‐control study among HPV(+)OPSCC patients who underwent intent‐to‐cure surgery. Cases developed locoregional or distant recurrence. Controls were matched based on age, sex, pathologic T, N, and overall stage, year of surgery, type of adjuvant treatment received, and the Adult Comorbidity Evaluation‐27 (ACE‐27) score.SettingSingle tertiary care center, May 2007 to December 2016.MethodsTumoral TILs (tTILs) density was defined as % TILs; stromal TILs (sTILs) density was defined as absent/sparse or moderate/dense crowding. Associations between TILs and time to disease progression were assessed using Cox regression models.ResultsForty‐four case‐control pairs (N = 88) were included: 42 (48%) AJCC pStage I, 39 (44%) pStage II, and 7 (8%) pStage III. tTILs density ≥10% (hazard ratio [HR] 0.41, 95% confidence interval [CI] 0.17‐0.99, p = .048) and a moderate/dense sTILs density (HR 0.21, 95% CI 0.06‐0.75, p = .016) in the primary tumor were significantly associated with decreased risk of progression. TILs density in the lymph node was associated with decreased risk of progression but did not reach statistical significance. The tTILs and sTILs density correlated strongly between the primary tumor and lymph node. Concordance between the pathologists' was moderate (60%‐70%).ConclusionsIn HPV(+)OPSCC, a higher density of tumoral and stromal TILs in the primary tumor and possibly the lymph node may predict a lower risk of disease progression.
Preparation and tribological behavior of high‐temperature oil‐containing porous polyimides
Authors: Wan Changxin , Jia Dan , Zhan Shengpeng , Zhang Wulin , Yang Tian , Li Yinhua , Duan Haitao 
Published: January 2023

AbstractThis paper aimed to attempt the fabrication of high‐temperature oil‐containing porous polyimides (OCPPIs) using as‐polymerized powder with a no processing melting point, as well as investigate its tribological behavior. The OCPPIs were fabricated using a cold‐press sintering technique containing multiple gradient processing steps. Coalescence tightly among polymer powders was successfully achieved under a high‐elastic state by extending holding time vastly based on the time–temperature equivalence principle. The results indicate that OCPPIs possessed a high performance of oil retention after centrifuging in rotation 6000 r/min within 120 min whether low or high porosity. The tribological behaviors were evaluated by reciprocating friction tests under point‐contact conditions. Surprisingly, the tribological properties showed counterintuitive performance, wherein the best performance on the anti‐friction and wear resistance is encountered for the PPIs with the lowest porosity due to the excellent mechanical performance. The corresponding tribological mechanism with respect to multi‐phase wear and liquid–solid lubrication was also discussed comprehensively. This work fills the gap with respect to the fabrication of high‐temperature oil reservoirs and contributes to further understanding the forming mechanisms of porous materials under a high‐elastic state.
Compilation of reputation loss scales in the oil and gas pipeline industry
Authors: Chen Xuefeng , Chen Wentao , Zhang Yifu , Peng Bin , Niu Meiling , Xu Mingwei 
Published: January 2023

AbstractOil and gas pipeline accidents not only caused personnel casualties, environmental pollution, and economic losses but also brought great panic to the public. In order to prevent accidents, consequence assessment (CA) has been widely used in the oil and gas pipeline industry. It aims to quantify the potential damage or loss due to unexpected eventualities. However, the current CA methods mainly pay attention to tangible loss, that is, human loss, production loss, asset loss, and environmental loss; the intangible loss such as reputation loss is often neglected. This leads to the deterioration of the quality of CA for the oil and gas industry. To settle existing research limitations, this article proposes to compile the reputation loss scale for the oil and gas pipeline industry to measure the intangible loss of oil and gas pipeline accidents. The compilation methodology mainly involves three stages, namely, the selection of reputation loss indicators, a compilation of reputation loss scale based on the Likert scale, and validation of reputation loss scale. The most important innovation is to quantify reputation loss based on the existing research. Therefore, this study can improve the limitations of current CA methodologies for the oil and gas pipeline Industry.