bluuebunny/crossref_metadata_2025_split huggingface dataset:
Kinetic solubility: Experimental and machine‐learning modeling perspectives
Authors: Baybekov Shamkhal , Llompart Pierre , Marcou Gilles , Gizzi Patrick , Galzi Jean‐Luc , Ramos Pascal , Saurel Olivier , Bourban Claire , Minoletti Claire , Varnek Alexandre 
Published: December 2023

AbstractKinetic aqueous or buffer solubility is important parameter measuring suitability of compounds for high throughput assays in early drug discovery while thermodynamic solubility is reserved for later stages of drug discovery and development. Kinetic solubility is also considered to have low inter‐laboratory reproducibility because of its sensitivity to protocol parameters [1]. Presumably, this is why little efforts have been put to build QSPR models for kinetic in comparison to thermodynamic aqueous solubility. Here, we investigate the reproducibility and modelability of kinetic solubility assays. We first analyzed the relationship between kinetic and thermodynamic solubility data, and then examined the consistency of data from different kinetic assays. In this contribution, we report differences between kinetic and thermodynamic solubility data that are consistent with those reported by others [1, 2] and good agreement between data from different kinetic solubility campaigns in contrast to general expectations. The latter is confirmed by achieving high performing QSPR models trained on merged kinetic solubility datasets. The poor performance of QSPR model trained on thermodynamic solubility when applied to kinetic solubility dataset reinforces the conclusion that kinetic and thermodynamic solubilities do not correlate: one cannot be used as an ersatz for the other. This encourages for building predictive models for kinetic solubility. The kinetic solubility QSPR model developed in this study is freely accessible through the Predictor web service of the Laboratory of Chemoinformatics (https://chematlas.chimie.unistra.fr/cgi‐bin/predictor2.cgi).
Pregnancy planning may impact maternal and neonatal outcomes in people with myasthenia gravis
Authors: Anabusi Saja , Izenberg Aaron , Barnett Carolina , Berndl Anne 
Published: December 2023

AbstractIntroductionMyasthenia Gravis (MG) is an acquired autoimmune condition commonly diagnosed in young people of reproductive age resulting in neuromuscular junction dysfunction. The course of MG during pregnancy and its impact on maternal and neonatal outcomes is vary in the literature. Pregnancy planning is a known strategy and modifiable risk factor in obstetric practice to decrease maternal and neonatal morbidity. We aim to assess if planning a pregnancy impacts maternal and neonatal outcomes, MG exacerbation, and pregnancy‐related complications.MethodsThis study utilized data from an online, North American survey entitled “A Patient Centered study on Pregnancy in People with Myasthenia Gravis”, distributed with the assistance of MG advocacy groups in the United States and Canada. It included individuals with MG who had at least one pregnancy in the last 10‐years. Key maternal and neonatal outcomes were compared between planned and unplanned pregnancies.ResultsOut of 156 survey participants, 58 had a pregnancy following MG diagnosis, totaling 90 reported pregnancies. Of these, 56 (62.2%) were planned and 34 (37.8%) were unplanned pregnancies.The unplanned pregnancies were associated with more MG exacerbations, hospitalizations, and intensive care unit admission (37.7% vs. 13.7%, 26.5% vs. 11%, and 17.6% vs. 8.9%, respectively, p ≤ .05). The neonatal outcomes did not significantly differ between the groups.DiscussionPlanned pregnancies in people with MG may be associated with a reduced gestational and post‐partum risk of MG exacerbation, hospitalizations, and ICU admissions. Larger studies are required to confirm this association and account for potential contributing variables.
A limit analysis approach to uplift bearing capacity of shallow plate anchors in marine environments
Authors: Forcelini Mateus , Maghous Samir , Schnaid Fernando 
Published: December 2023

AbstractOffshore oil and gas exploration activities involve the installation of various subsea infrastructures on the ocean floor, often supported by shallow foundations such as anchor plates or mudmats. These foundations must be designed to withstand applied service loads along the structure lifecycle, including decommissioning loads required for subsequent removal. In this context, this work is dedicated to the evaluation of uplift bearing capacity of shallow anchors within the theoretical framework of limit analysis and its related kinematic approach. Based on the implementation of 3D failure mechanisms, rigorous upper bound estimates for the uplift force viewed as ultimate load for the material system are derived from either total or effective stress analyses. In that respect, emphasis is given to the formulation of limit analysis problem in the context of effective stresses, showing how the effect of seepage flow may be accounted for by means of driving body forces derived from the gradient of excess pore pressure distribution and how suction forces arise from pore pressure difference between upper and lower anchor surfaces. Evaluation of suction forces developed during anchor lifting is addressed by resorting to a simplified modeling applied to circular and rectangular anchors. The accuracy of the upper bound predictions derived for uplift force is assessed by comparison with available experimental data. Several numerical results are also provided to investigate the effects of relevant problem parameters on the uplift bearing capacity.
Transient erythroblastopenia due to a GATA1 variant in an infant female
Authors: Yamashita Motoi , Tomoda Takahiro , Mizuo Ami , Isoda Takeshi , Egawa Makiko , Yoshida Masayuki , Toki Tsutomu , Kudo Ko , Terui Kiminori , Ito Etsuro , Morio Tomohiro , Takagi Masatoshi 
Published: December 2023

AbstractDiamond–Blackfan anemia (DBA) is a congenital anemia with erythroid cell aplasia. Most of the causative genes are ribosomal proteins. GATA1, a hematopoietic master transcription factor required for erythropoiesis, also causes DBA. GATA1 is located on Xp11.23; therefore, DBA develops only in males in an X‐linked inheritance pattern. Here, we report a case of transient erythroblastopenia and moderate anemia in a female newborn infant with a de novo GATA1 variant. In this patient, increased methylation of the GATA1 wild‐type allele was observed in erythroid cells. Skewed lyonization of GATA1 may cause mild transient erythroblastopenia in a female patient.
Antisocial personality traits relationship with behaviours and beliefs on COVID‐19 containment measures: Investigation in a large Brazilian sample
Authors: de Francisco Carvalho Lucas , Koich Miguel Fabiano , Machado Gisele Magarotto , de Oliveira Cibelle , Pianowski Giselle 
Published: December 2023

AbstractIn the COVID‐19 context, traits associated with antisociality can decrease concern and awareness about the potential harmfulness of the virus. This study investigated associations of pathological traits of antisocial personality disorder (ASPD) with behaviours and beliefs linked to COVID‐19 containment measures. The sample consisted of 2230 Brazilian adults who answered ASPD‐related facets of the Personality Inventory for DSM‐5 and a questionnaire regarding adherence to COVID‐19 containment measures. We applied the DSM‐5 ASPD criteria to divide the sample into antisocial and non‐antisocial groups. Our findings suggest that individuals meeting the criteria for ASPD tend to exhibit reduced compliance with pandemic control measures and lower adherence to hygiene practices. Moreover, sex, income, and age should be considered potential covariates in research investigating the relationship between antisocial traits and adherence to COVID‐19 preventive measures. Altogether, our findings highlight ASPD traits' role in the predisposition to lack of prosocial behaviours of adherence to COVID‐19 containment measures.
Trajectories of fear of cancer recurrence and its influence factors: A longitudinal study on Chinese newly diagnosed cancer patients
Authors: Chen Furong , Ou Meijun , Xiao Zhirui , Xu Xianghua 
Published: December 2023

AbstractObjectiveThe fear of cancer recurrence (FCR) is an ongoing and common psychological problem faced by cancer patients. The objective of this study was to explore the variation trend of FCR and its influencing factors in Chinese newly diagnosed cancer patients from admission to 2 months after discharge. Demographic and tumor characteristics, as well as experiential avoidance (EA), were used as predictors.MethodA longitudinal design and a consecutive sampling method were used to select 266 newly diagnosed cancer patients admitted to a tertiary cancer hospital in China from July to December 2022. Measurements of FCR and EA were obtained at admission (T1), 1 month after discharge (T2), and 2 months post‐discharge (T3). Generalized estimating equations were used to identify factors associated with FCR for longitudinal data analysis.ResultsA total of 266 participants completed the follow‐up. Both FCR and EA scores of patients with newly diagnosed cancer showed a significant trend of first increasing and then decreasing at baseline and follow‐up (p < 0.001). The junior secondary and less education level, rural residence, advanced tumor and high EA level were risk factors for higher FCR.ConclusionsOur findings suggest that the FCR levels of most newly diagnosed cancer patients in China are different at the three time points and affected by different factors, with the highest level at 1 month after discharge. These results have significant implications for future identifying populations in need of targeted intervention based on their FCR trajectories.
Factors affecting cervical screening using the health belief model during the last decade: A systematic review and meta‐analysis
Authors: Al‐Ani Abdallah , Hammouri Muhammad , Sultan Hala , Al‐Huneidy Leen , Mansour Asem , Al‐Hussaini Maysa 
Published: December 2023

AbstractAimsTo examine the utility of the health belief model (HBM) and other socioeconomic factors in shaping cervical screening behaviors. Also, to provide recommendations on improving screening uptake.MethodologyA systematic literature search was conducted using the PubMed/MEDLINE, Cochrane/CENTRAL, and Web of Science databases for articles reporting on the factors associated with cervical screening using the HBM within the period from January of 2002 to January of 2023. Effect sizes for the various HBM constructs were pre‐determined using the log odds ratio (logOR) and expressed with their confidence intervals. All reporting was in line with the PRISMA guidelines.ResultsA total of 21 studies were included in the final analysis comprised of 15,365 participants. Our pooled analysis demonstrated that perceived susceptibility (OR: 1.40, 95% CI, 1.03–1.89), perceived benefits (OR: 1.30; 95% CI, 1.13–1.50), and self‐efficacy (OR: 1.11; 95% CI, 1.05–1.17) were significantly associated with both the uptake of and intention to adopt preventive measures against cervical cancer. Conversely, women with higher perceptions of barriers were less likely to adopt any measure for cervical cancer screening or prevention (OR: 0.72; 95% CI, 0.57–0.91). In terms of sociodemographic effectors, older age (OR: 1.09; 95% CI, 1.01–1.19), graduate/post‐graduate education (OR: 2.80; 95% CI, 1.46–5.37), higher knowledge of cervical cancer (OR: 2.21; 95% CI, 1.27–3.84), and being married (OR: 3.89; 95% CI, 1.38–10.92) were all associated with altering preventive behaviors and intentions toward cervical cancer.ConclusionThis review delineates the most important and effective cognitive components that should be targeted within interventions aiming to promote cervical cancer prevention.
Spatiotemporal evolution and its impact on the deposition behavior of atmospheric TEOS/O2/Ar plasma: A numerical study
Authors: Chang Jiaxin , Dai Dong , Zhang Cheng , Shao Tao 
Published: December 2023

AbstractAtmospheric dielectric barrier discharge (DBD) is a promising approach for large‐area deposition, whose spatiotemporal evolution determines the deposition rate and film chemistry. To investigate the relationship between the discharge and deposition behavior of tetraethoxysilane/oxygen/argon (TEOS//Ar) DBD, a one‐dimensional (1D) fluid model was constructed and experimentally verified. The calculation results reveal that TEOS mainly affects the discharge behavior via Penning ionization, while mainly affects discharge via attachment reaction. Penning ionization reduces the excited Ar and the attachment reaction reduces the number of discharges in half voltage cycles. As a result, merely increasing the concentration of TEOS or may not proportionally increase the deposition rate of relevant reactive species.
Isotope effects accompanying δ2H, δ18O and δ17O analyses of aqueous saline solutions using cavity ring‐down laser spectroscopy
Authors: Dulinski Marek , Rozanski Kazimierz , Pierchala Anna , Gorczyca Zbigniew 
Published: December 2023

RationaleThe presence of substantial amounts of dissolved salts creates serious difficulties in isotope analyses of water samples using conventional isotope ratio mass spectrometry. Although nowadays laser‐based instruments are increasingly used for this purpose, a comprehensive assessment of isotope effects associated with direct analyses of aqueous saline solutions using this technology is lacking.MethodsHere we report the results of laboratory experiments aimed at quantifying isotope effects associated with direct, δ2H, δ18O and δ17O analyses of single‐salt solutions and double‐salt mixtures prepared with a water of known isotopic composition. Three single‐salt solutions (NaCl, CaCl2 and MgSO4) and two double‐salt mixtures (NaCl + CaCl2 and NaCl + MgSO4) were prepared and investigated for a wide range of molalities. The triple‐isotope composition of the prepared solutions was analysed with the aid of a Picarro L2140‐i Cavity Ring‐Down Spectroscopy analyser.ResultsThe NaCl and CaCl2 solutions revealed small negative salt effects, independent of molality and comparable with measurement uncertainty. The MgCl2 solution showed the highest salt effects, reaching saturated solution ca. +2.7‰ (2H), −3.5‰ (18O) and −1.7‰ (17O). Salt effects for the double‐salt mixtures generally mirrored the effects observed for the single‐salt solutions. The observed salt effects are discussed in the context of processes occurring during the injection of the salt solutions into the vaporizer unit of the CRDS analyser.ConclusionsThe presented study has demonstrated feasibility of direct, triple‐isotope analyses of aqueous salt solutions using a Picarro L2140‐i CRDS analyser for a broad range of salinities up to saturated conditions. Large uncertainties of 17O‐excess determinations for solutions forming hydrated salts preclude the use of this parameter for interpretation purposes.
High‐throughput mass spectrometry analysis using immediate drop‐on‐demand technology coupled with an open port sampling interface
Authors: Kertesz Vilmos , Carper Dana L. , Cahill John F. 
Published: December 2023

RationaleThe sampling throughput of immediate drop‐on‐demand technology (I.DOT) coupled with an open port sampling interface (OPSI) is limited by software communication. To enable much‐needed high‐throughput mass spectrometry (MS) analysis capabilities, a novel software was developed that allows for flexible sample selection from a 96‐well plate and for maximized analysis throughput using I.DOT/OPSI‐MS coupling.MethodsWells of a 96‐well I.DOT plate were filled with propranolol solution and were used to test maximum sampling throughput strategies to minimize analysis time. Demonstration of chemical reaction monitoring was done using acid‐catalyzed ring closure of 2,3‐diaminonaphthalene (DAN) with nitrite to form 2,3‐naphthotriazole (NAT). Analytes were detected in positive electrospray ionization mode using selected reaction monitoring.ResultsA maximum throughput of 1.54 s/sample (7.41 min/96‐well plate with three technical replicates) was achieved, and it was limited by the peak width of the MS signal resulting in an occasional slight overlap between the peaks. Relative standard deviation was 10 ± 1% with all tested sampling strategies. Chemical reaction monitoring of DAN to NAT using nitrite was successfully accomplished with 2 s/sample throughout showing almost complete transformation in 10 min with no signal overlap.ConclusionsThis work illustrates the development of a noncontact, automated I.DOT/OPSI‐MS system with improved throughput achieved through an optimized software interface. Its achievable analysis time and precision make it a viable approach for drug discovery and in situ reaction monitoring studies.
Molecular changes in skeletal muscle in chronic kidney disease: A systematic review
Authors: Wong Limy , Kenny Rachel , Howard Jennifer , McMahon Lawrence P. 
Published: December 2023

AbstractBackgroundLoss of skeletal muscle mass is prevalent among patients affected by chronic kidney disease (CKD). It is associated with significant morbidity and mortality. The underlying molecular pathogenesis has yet to be fully understood. The aim of this systematic review is to summarize the current evidence on molecular changes in the skeletal muscle of humans and rodents with CKD and to assess the strength of such evidence.MethodsThe PubMed and EMBASE databases were searched using three main themes: messenger ribonucleic acid/protein/microRNA expression, skeletal muscle and CKD. This study was conducted in accordance with the Preferred Reporting Items for Systematic Reviews and Meta‐Analyses (PRISMA) standards.ResultsA total of 98 studies were included in the systematic review, comprising 26 prospective human clinical studies, four human and rodent studies, and 68 rodent‐only studies (32 mouse and 36 rat models respectively). The sample sizes of human studies were largely small (40% of studies had ≤20 participants). Qualitative polymerase chain reaction (qPCR) was the most commonly used method for gene expression and none of the studies fulfilled the Minimum Information for Publication of qPCR Experiments criteria for quality assessment. Majority of the studies investigated only a few genes or a specific signalling pathway. FBXO32, TRIM63, MSTN, IL6, TNF and IGF1 were the most investigated genes. The identified differentially expressed genes and proteins belonged to eight major pathways, including apoptosis, autophagy, inflammation, insulin/insulin‐like growth factor 1 signalling, lipid metabolism, mitochondrial function, muscle cell growth and differentiation, and protein degradation, similar to other chronic disease states.ConclusionsThe current evidence regarding molecular alterations in the skeletal muscle in CKD is largely derived from small and heterogenous studies. Markedly similar modifications in the major biological pathways between CKD and other chronic diseases supports shared deleterious molecular mechanisms producing muscle atrophy, irrespective of the underlying specific disease.
Pharmacological inhibition of IRAK4 kinase activity does not prevent cachexia in mice with pancreatic cancer
Authors: Qiao Shuxi , LaViolette Brianna , Paulhus Brianna LaCarubba , Li Xiangping , Litchfield John , Li Zhenhong , Stansfield John C. , Gieseck Richard L. , Zhang Bei B. , Breen Danna M. 
Published: December 2023

AbstractBackgroundInflammation is a hallmark of cachexia; however, effective anti‐inflammatory treatments have not yet been identified. Interleukin‐1 receptor‐associated kinase 4 (IRAK4) is a key signalling node linking interleukin‐1 receptor (IL‐1R) and toll‐like receptor (TLR) activation to the production of multiple proinflammatory cytokines that are elevated in cancer cachexia. The purpose of this work is to evaluate whether pharmacological inhibition of IRAK4 kinase activity with PF‐06426779 could prevent cachexia using a model of pancreatic cancer. The effect of appetite stimulation via the ghrelin receptor agonist anamorelin was also examined as a benchmark of clinically validated mechanisms.MethodsFemale C57Bl/6J mice were given an intraperitoneal injection of KrasG12D; p53R172H; Pdx1‐Cre (KPC) pancreatic tumour cells. PF‐06426779 or anamorelin treatment was initiated at the onset of anorexia. Body weight and food intake were measured throughout the study. Body composition, muscle function (force), and physical activity (treadmill running endurance) were assessed at the end of the study.ResultsChronic treatment with PF‐06426779, at doses covering in vitro IC50 and IC90 at Cmin, did not increase body weight, food intake, and muscle function in the KPC tumour model. In contrast, anamorelin (vs. vehicle) increased food intake (P < 0.01), hindlimb skeletal muscle mass (P < 0.01), and muscle strength (P < 0.05); however, treadmill running endurance was not increased.ConclusionsThese data suggest that inhibition of IRAK4 kinase activity is not sufficient to treat cachexia, at least in pancreatic cancer, and exploration of alternative anti‐inflammatory strategies that increase appetite is required.
Predefined‐time tracking control of a class of nonlinear systems via a novel C∞ performance function
Authors: Li Jian , Du Jialu 
Published: December 2023

AbstractIt is well‐known that the finite‐time and the fixed‐time control can ensure the finite‐time and the fixed‐time stabilities of systems, respectively. Therein the finite convergence time depends on both the initial conditions of systems and the controller design parameters, and the fixed convergence time only depends on the controller design parameters. The recently reported predefined‐time control removes the above limitations. Nevertheless, the existing predefined‐time control methods either require sliding modes, or suffer from the high‐gain control problem at the predefined time, or cannot be applied to high‐order systems. This article develops an alternative predefined‐time tracking control scheme of a class of nonlinear systems by introducing a novel performance function which reaches its terminal value at a predefined time. The developed predefined‐time tracking control scheme has higher compatibility, does not cause the high‐gain control problem at the predefined time and is applicable to arbitrary order systems. Theoretical analyses and simulations verify the effectiveness of our developed predefined‐time tracking control scheme.
Event‐triggered adaptive tracking control for nonlinear systems with input saturation and unknown control directions
Authors: Chang Ru , Hou Ting‐Ting , Bai Zhi‐Zhong , Sun Chang‐Yin 
Published: December 2023

AbstractThis article is concerned with event‐triggered adaptive tracking control design of strict‐feedback nonlinear systems, which are subject to input saturation and unknown control directions. In the design procedure, a smooth nonlinear function is employed to approximate the saturation function so that the controller can be designed under the framework of backstepping. The Nussbaum gain technique is employed to address the issue of the unknown control directions. A predetermined time convergent performance function and a nonlinear mapping technique are introduced to guarantee that the tracking error can converge in the predetermined time with a fast convergence rate and a high accuracy. Then the event‐triggered adaptive prescribed performance tracking control strategy is proposed, which not only ensures the boundedness of all the closed‐loop signals and the convergence of tracking error but also reduces the communication burden from the controller to the actuator. At last, the simulation study further tests the availability of the proposed control strategy.