bluuebunny/crossref_metadata_2025_split huggingface dataset:
Life is pain: Fibromyalgia as a nexus of multiple liability distributions
Authors: Moscati Arden , Faucon Annika B. , Arnaiz‐Yépez Cayetana , Lönn Sara Larsson , Sundquist Jan , Sundquist Kristina , Belbin Gillian M. , Nadkarni Girish , Cho Judy H. , Loos Ruth J. F. , Davis Lea K. , Kendler Kenneth S. 
Published: June 2023

AbstractFibromyalgia is a complex disease of unclear etiology that is complicated by difficulties in diagnosis, treatment, and clinical heterogeneity. To clarify this etiology, healthcare‐based data are leveraged to assess the influences on fibromyalgia in several domains. Prevalence is less than 1% of females in our population register data, and about 1/10th that in males. Fibromyalgia often presents with co‐occurring conditions including back pain, rheumatoid arthritis, and anxiety. More comorbidities are identified with hospital‐associated biobank data, falling into three broad categories of pain‐related, autoimmune, and psychiatric disorders. Selecting representative phenotypes with published genome‐wide association results for polygenic scoring, we confirm genetic predispositions to psychiatric, pain sensitivity, and autoimmune conditions show associations with fibromyalgia, although these may differ by ancestry group. We conduct a genome‐wide association analysis of fibromyalgia in biobank samples, which did not result in any genome‐wide significant loci; further studies with increased sample size are necessary to identify specific genetic effects on fibromyalgia. Overall, fibromyalgia appears to have strong clinical and likely genetic links to several disease categories, and could usefully be understood as a composite manifestation of these etiological sources.
Multi‐polygenic scores in psychiatry: From disorder specific to transdiagnostic perspectives
Authors: Shi Yingjie , Sprooten Emma , Mulders Peter , Vrijsen Janna , Bralten Janita , Demontis Ditte , Børglum Anders D. , Walters G. Bragi , Stefansson Kari , van Eijndhoven Philip , Tendolkar Indira , Franke Barbara , Mota Nina Roth 
Published: June 2023

AbstractThe dense co‐occurrence of psychiatric disorders questions the categorical classification tradition and motivates efforts to establish dimensional constructs with neurobiological foundations that transcend diagnostic boundaries. In this study, we examined the genetic liability for eight major psychiatric disorder phenotypes under both a disorder‐specific and a transdiagnostic framework. The study sample (n = 513) was deeply phenotyped, consisting of 452 patients from tertiary care with mood disorders, anxiety disorders (ANX), attention‐deficit/hyperactivity disorder (ADHD), autism spectrum disorders, and/or substance use disorders (SUD) and 61 unaffected comparison individuals. We computed subject‐specific polygenic risk score (PRS) profiles and assessed their associations with psychiatric diagnoses, comorbidity status, as well as cross‐disorder behavioral dimensions derived from a rich battery of psychopathology assessments. High PRSs for depression were unselectively associated with the diagnosis of SUD, ADHD, ANX, and mood disorders (p < 1e‐4). In the dimensional approach, four distinct functional domains were uncovered, namely the negative valence, social, cognitive, and regulatory systems, closely matching the major functional domains proposed by the Research Domain Criteria (RDoC) framework. Critically, the genetic predisposition for depression was selectively reflected in the functional aspect of negative valence systems (R2 = 0.041, p = 5e‐4) but not others. This study adds evidence to the ongoing discussion about the misalignment between current psychiatric nosology and the underlying psychiatric genetic etiology and underscores the effectiveness of the dimensional approach in both the functional characterization of psychiatric patients and the delineation of the genetic liability for psychiatric disorders.
Nasschemische Bottom‐up Synthese von Graphen‐Nanostreifen mit atompräzisen Nanoporen
Authors: Niu Wenhui , Fu Yubin , Serra Gianluca , Liu Kun , Droste Jörn , Lee Yeonju , Ling Zhitian , Xu Fugui , Cojal González José D. , Lucotti Andrea , Rabe Jürgen P. , Ryan Hansen Michael , Pisula Wojciech , Blom Paul W. M. , Palma Carlos‐Andres , Tommasini Matteo , Mai Yiyong , Ma Ji , Feng Xinliang 
Published: June 2023

AbstractDie Inkorporation von Nanoporen in Graphen‐Nanostrukturen wurde als effiziente Methode zur Anpassung der Bandlücke und elektronischen Struktur dieser Materialien demonstriert. Allerdings ist die atomgenaue Einbettung uniformer Nanoporen in Graphen‐Nanostreifen (GNS, engl. GNR) auf atomarer Ebene durch Mangel an effizienten Synthesestrategien bislang unterentwickelt. Wir berichten hier vom ersten lösungschemisch dargestellten, vollständig durch Scholl‐Reaktion konjugierten porösen GNS (pGNS), welchen wir durch das atomgenau dargestellte Polyphenylen P1 mit vorinstallierten hexagonalen Makrozyklen zugänglich machen konnten. pGNS enthält periodische Poren im sub‐Nanometerbereich (0.6 nm) mit einem Abstand von 1.7 nm zueinander. Um unsere Synthesestrategie zu untermauern, wurden zwei poröse Modellverbindungen (1 a, 1 b) mit einer zu pGNS identischen Pore erfolgreich dargestellt. Die chemische Struktur und photophysikalischen Eigenschaften von pGNS wurden durch verschiedene spektroskopische Methoden untersucht. Die eingebetteten periodischen Nanoporen vermindern die π‐Konjugation und damit die Interaktion zwischen den Nanostreifen, verglichen mit nicht porösen GNS von ähnlicher Breite. pGNS zeigt demzufolge eine erhöhte Bandlücke und eine verbesserte nasschemische Prozessierbarkeit.
Chiral Carbon Nanodots Can Act as Molecular Catalysts in Chemical and Photochemical Reactions
Authors: Bartolomei Beatrice , Corti Vasco , Prato Maurizio 
Published: June 2023

AbstractIn this work, a microwave synthesis followed by a simple purification process produces a new type of chiral Carbon Nanodots (CNDs). These CNDs are soluble in organic solvents, exhibit amino groups on their surface and display interesting absorption and emission properties along with mirror image profiles in the electronic circular dichroism spectrum. All these features set the stage for CNDs to act as multifunctional catalytic platforms, able to promote diverse chemical transformations. In particular, the outer shell composition of CNDs was instrumental to carry out organocatalytic reactions in an enantioselective fashion. In addition, the redox and light‐absorbing properties of the material are suitable to drive photochemical processes. Finally, the photoredox and organocatalytic activations of CNDs were exploited at the same time to promote a cross‐dehydrogenative coupling. This work demonstrates that CNDs can be used as catalysts to promote multiple reactivities, previously considered exclusive domain of molecular catalysts.
Quantification and persistence of COVID‐19 virus in recently deceased individuals before and after embalming
Authors: Gitto Lorenzo , Middleton Frank A. , Reynolds Erin S. , Thangamani Saravanan , Jaeger Daniel A. , Mihaila Dana M. 
Published: June 2023

AbstractThe COVID‐19 pandemic severely affected the medical education worldwide. The infection risk for medical students and healthcare personnel who work with COVID‐19 positive cadavers or tissues remains unclear. Moreover, COVID‐19 positive cadavers have been rejected by medical schools, adversely impacting the continuum of medical education. Herein, the viral genome abundance in tissues from four COVID‐19 positive donors before and after embalming were compared. Tissue samples were collected from the lungs, liver, spleen, and brain both pre‐ and postembalming. The possible presence of infectious COVID‐19 was determined by inoculating human tissue homogenates onto a monolayer of human A549‐hACE2 cells and observing for cytopathic effects up to 72 h postinoculation. A real‐ time quantitative reverse transcription polymerase chain reaction was performed to quantify COVID‐19 present in culture supernatants. Fully intact viral genome sequence was possible to obtain in samples with higher levels of virus, even several days postmortem. The embalming procedure described above substantially reduces the abundance of viable COVID‐19 genomes in all tissues, sometimes even to undetectable levels. However, in some cases, COVID‐19 RNA can still be detected, and a cytopathic effect can be seen both pre‐ and postembalmed tissues. This study suggests that embalmed COVID‐19 positive cadavers might be used safely with appropriate precautions followed in gross anatomy laboratories and in clinical and scientific research. Deep lung tissue is the best specimen to test for the virus. If the tests on the lung tissues are negative, there is a very low likelihood that other tissues will show positive results.
Hydride‐Enhanced Plating and Stripping of Aluminum from Triflate‐based Organic Electrolytes**
Authors: Slim Zaher , Menke Erik J. 
Published: June 2023

AbstractIn the quest for developing rechargeable aluminum (Al) batteries, reversible Al plating in the absence of active‐halide components is considered an immense challenge. For this reason, the choice of electrolyte has been primarily limited to the highly corrosive chloroaluminate systems based on aluminum trichloride (AlCl3). In this work, we demonstrate reversible room‐temperature Al plating from an active‐halide‐free (AHF) organic electrolyte based on aluminum trifluoromethanesulfonate (Al(OTF)3) and lithium aluminum hydride (LiAlH4) in tetrahydrofuran (THF), as well as its AlCl3 counterpart. From insights obtained by Density Functional Theory (DFT) and Fourier‐Transform Infrared (FTIR) spectroscopy, ionic speciation in the electrolyte is explored, and mechanisms for the underlying electrochemical processes in the trifluoromethanesulfonate (OTF−)‐based electrolytes are proposed. Al plating and stripping were confirmed by optical microscopy, scanning electron microscopy (SEM) and X‐ray diffraction (XRD). Characterizing the Al deposits from either the OTF−‐ or the chloride (Cl−)‐based electrolytes via depth‐profile X‐ray Photoelectron Spectroscopy (XPS) analyses, we find that these deposits consist of metallic Al, aluminum oxide (Al2O3), and either aluminum trifluoride (AlF3) or aluminum chloride (AlxCly) contaminants arising from a reaction with the electrolyte components which occurs during the plating process.
New Insights into Self‐Discharge and Heat Generation in Magnesium Batteries
Authors: Ul Mohsin Ijaz , Riedel Sibylle , Xiu Yanlei , Zhao‐Karger Zhirong , Ziebert Carlos 
Published: June 2023

AbstractInvited for this month's cover is the group of Dr. Ijaz Ul Mohsin. For the first time, the total heat generation and self‐discharging phenomena of magnesium batteries containing the Chevrel Phase Mo6S8 and organic 14PAQ are compared for different electrolyte solvents using sophisticated calorimetry. Noticeable differences are observed and in tetraglyme solvent stable cycling and fewer self‐discharge phenomena are detected. However, the activation process needs more cycles to achieve the required capacity in the case of the Chevrel Phase. Read the full text of the Research Article at 10.1002/batt.202300137.
Opine dehydrogenases, an underexplored enzyme family for the enzymatic synthesis of chiral amines
Authors: Telek András , Molnár Zsófia , Vértessy Beáta G. , Tasnádi Gábor 
Published: June 2023

AbstractOpines and opine‐type chemicals are valuable natural products with diverse biochemical roles, and potential synthetic building blocks of bioactive compounds. Their synthesis involves reductive amination of ketoacids with amino acids. This transformation has high synthetic potential in producing enantiopure secondary amines. Nature has evolved opine dehydrogenases for this chemistry. To date, only one enzyme has been used as biocatalyst, however, analysis of the available sequence space suggests more enzymes to be exploited in synthetic organic chemistry. This review summarizes the current knowledge of this underexplored enzyme class, highlights key molecular, structural, and catalytic features with the aim to provide a comprehensive general description of opine dehydrogenases, thereby supporting future enzyme discovery and protein engineering studies.
Phase I study of cisplatin and nanoparticle albumin‐bound‐paclitaxel combined with concurrent radiotherapy in locally advanced esophageal squamous cell carcinoma
Authors: Jiang Hui , Li Qiaoqiao , Chen Baoqing , Xi Mian , Makelike Kanjiebubi , Liu Shiliang , Hu Yonghong , Zhu Yujia 
Published: June 2023

AbstractBackgroundThis phase I study aimed to assess the safety, dose‐limiting toxicity (DLT), maximum tolerated dose (MTD) and preliminary effect of nanoparticle albumin‐bound (nab)‐paclitaxel in combination with concurrent chemoradiotherapy in patients with locally advanced esophageal squamous cell carcinoma (ESCC).MethodsPatients with locally advanced ESCC who were ineligible or refused surgery were enrolled. Nab‐paclitaxel (60 mg/m2, 75 mg/m2, and 90 mg/m2) and cisplatin (25 mg/m2) were administered intravenously weekly on days 1, 8, 15, 22, and 29 on the basis of the 3 + 3 dose escalation method. The total dose of radiation was 50–64 Gy. The primary endpoint was the safety of chemotherapy.ResultsThe study enrolled 12 patients across three dose levels. No treatment‐related deaths occurred. One patient in the 60 mg/m2 dose level occurred dose‐limiting Grade 3 febrile neutropenia. No DLT was found in the 90 mg/m2 dose level thus the MTD was not reached. The phase II study's recommended dose was 75 mg/m2 based on the available preclinical and clinical data including pharmacokinetics, pharmacodynamics, efficacy, and toxicity. The frequent hematologic toxicities were leukocytopenia (Grade 1–2 of 66.7% and Grade 3–4 of 33.3%), neutropenia (Grade 1–2 of 91.7% and Grade 3–4 of 8.3%). Nonhematologic toxicities were mild and manageable. Overall response rate (ORR) of all patients achieved 100%.ConclusionsWeekly schedule of cisplatin and nab‐paclitaxel in combination with concurrent radiotherapy showed manageable toxicities and promising antitumor activity in patients with locally advanced ESCC. The recommended dose of nab‐paclitaxel for further studies is 75 mg/m2.
Cuproptosis‐related miRNAs signature and immune infiltration characteristics in colorectal cancer
Authors: Zhu Zhonglin , Guo Tianan , Weng Junyong , Li Shanbao , Zhu Congcong , Zhao Qiuyan , Xu Ye 
Published: June 2023

AbstractBackgroundA novel form of cell death termed cuproptosis was proposed recently. miRNAs play important roles in colorectal cancer (CRC). However, their relationships have not been reported.MethodsmiRNAs that negatively regulate 16 cuproptosis regulators were predicted using Targetscan database. The univariate Cox, LASSO, and multivariate Cox regression analyses were performed to select cuproptosis‐related miRNAs. GSEA and ssGSEA analysis was carried out for functional enrichment analysis. The immune cell proportion score (IPS) and the efficiencies of multiple chemotherapy drugs were compared between different risk groups. The CCK8, cell colony, edu, and flow cytometry assays were performed to validate the roles of miRNA. Luciferase reporter assay confirmed the regulatory mechanism of miRNA on cuproptosis.ResultsSix cuproptosis‐related miRNAs (hsa‐miR‐653, hsa‐miR‐216a, hsa‐miR‐3684, hsa‐miR‐4437, hsa‐miR‐641, and hsa‐miR‐552) were screened out for model construction. The risk score could act as an independent prognostic indicator in CRC (p < 0.001, 95% HR = 1.243 (1.129–1.369)). The nomogram could efficiently predict the overall survival rate (AUC = 0.836). Then, the level of immunosuppressive pathways, immunosuppressive cells, stromal‐activated genes, and stromal score was higher in the high‐risk group. The IPS analysis showed a better response to immunotherapy in the low‐risk group. Also, the risk score was closely correlated with efficiencies of multiple chemotherapy drugs. Furthermore, miR‐653 was highly expressed in CRC tissues (p < 0.001), closely correlated with T stage (p < 0.001), metastasis (p < 0.001), and tumor stage (p < 0.001). High expression of miR‐653 predicted a shorter overall survival (p = 0.0282) and disease‐free survival (p = 0.0056). In addition, miR‐653 promoted cell proliferation, inhibited apoptosis, and negatively regulated the expression of DLD through directly binding to the 3’‐UTR of DLD mRNA.ConclusionWe constructed a cuproptosis‐related miRNA signature for the prediction of CRC patient survival and immunotherapy sensitivity. miR‐653 was highly expressed in CRC tissues, promoted cell proliferation, and inhibited apoptosis by negatively regulating the expression of DLD.
Chromone Containing Hybrid Analogs: Synthesis and Applications in Medicinal Chemistry
Authors: Auti Prashant S. , Jagetiya Sakshi , Paul Atish T. 
Published: June 2023

AbstractThe use of privileged scaffolds has proven beneficial for generating novel bioactive scaffolds in drug discovery program. Chromone is one such privileged scaffold that has been exploited for designing pharmacologically active analogs. The molecular hybridization technique combines the pharmacophoric features of two or more bioactive compounds to avail a better pharmacological activity in the resultant hybrid analogs. The current review summarizes the rationale and techniques involved in developing hybrid analogs of chromone, which show potential in fields of obesity, diabetes, cancer, Alzheimer's disease and microbial infections. Here the molecular hybrids of chromone with various pharmacologically active analogs or fragments (donepezil, tacrine, pyrimidines, azoles, furanchalcones, hydrazones, quinolines, etc.) are discussed with their structure‐activity relationship against above‐mentioned diseases. Detailed methodologies for the synthesis of corresponding hybrid analogs have also been described, with suitable synthetic schemes. The current review will shed light on various strategies utilized for the design of hybrid analogs in the field of drug discovery. The importance of hybrid analogs in various disease conditions is also illustrated.
Design, Synthesis, and Evaluation of Biological Activity of Ferrocene‐Ispinesib Hybrids: Impact of a Ferrocenyl Group on the Antiproliferative and Kinesin Spindle Protein Inhibitory Activity
Authors: Kowalczyk Karolina , Błauż Andrzej , Moscoh Ayine‐Tora Daniel , Hartinger Christian G. , Rychlik Błażej , Plażuk Damian 
Published: June 2023

AbstractWith the aim to combine more than one biologically‐active component in a single molecule, derivatives of ispinesib and its (S) analogue were prepared that featured ferrocenyl moieties or bulky organic substituents. Inspired by the strong kinesin spindle protein (KSP) inhibitory activity of ispinesib, the compounds were investigated for their antiproliferative activity. Among these compounds, several derivatives demonstrated significantly higher antiproliferative activity than ispinesib with nanomolar IC50 values against cell lines. Further evaluation indicated that the antiproliferative activity is not directly correlated with their KSP inhibitory activity while docking suggested that several of the derivatives may bind in a manner similar to ispinesib. In order to investigate the mode of action further, cell cycle analysis and reactive oxygen species formation were investigated. The improved antiproliferative activity of the most active compounds may be assigned to synergic effects of various factors such as KSP inhibitory activity due to the ispinesib core and ability to generate ROS and induce mitotic arrest.
Quasi‐dynamic breathing model of the lung incorporating viscoelasticity of the lung tissue
Authors: Daphalapurkar Nitin , Riglin Jacob , Mohan Arvind , Harris Jennifer , Bernardin John 
Published: June 2023

AbstractWe advanced a novel model to calculate viscoelastic lung compliance and airflow resistance in presence of mucus, accounting for the quasi‐linear viscoelastic stress–strain response of the parenchyma (alveoli) tissue. We adapted a continuum‐based numerical modeling approach for the lung, integrating the fluid mechanics of the airflow within individual generations of the bronchi and alveoli. The model accounts for elasticity of the deformable bronchioles, resistance to airflow due to the presence of mucus within the bronchioles, and subsequent mucus flow. Simulated quasi‐dynamic inhalation and expiration cycles were used to characterize the net compliance and resistance of the lung, considering the rheology of the mucus and viscoelastic properties of the parenchyma tissue. The structure and material properties of the lung were identified to have an important contribution to the lung compliance and airflow resistance. The secondary objective of this work was to assess whether a higher frequency and smaller volume of harmonic air flow rate compared to a normal ventilator breathing cycle enhanced mucus outflow. Results predict, lower mucus viscosity and higher excitation frequency of breathing are favorable for the flow of mucus up the bronchi tree, towards the trachea.
Non‐approximative Kinetics of Triplet‐Triplet Annihilation at Room Temperature: Solvent Effects on Delayed Fluorescence
Authors: Bjelland Victoria M. , Nakashima Harue , Hashimoto Naoaki , Seo Satoshi , Melø Thor B. , Lindgren Mikael 
Published: June 2023

AbstractThe molecular processes taking place during triplet‐triplet annihilation (TTA) in solvents at room temperature are examined in detail. Special attention is paid to modelling of the nonlinear kinetic reactions. Using time‐ and spectrally resolved spectroscopy of DPA and Pt/Pd‐OEP based sensitizer and annihilators, it is shown how the kinetic of parameters, such as the triplet energy transfer (TET) and TTA of the rate‐reactions, can be simulated, measured and fitted, without approximations, using a numerical scheme. Studies of DPA in the solvents DMSO, THF and toluene at room temperature revealed that viscosity/diffusion together with the excited triplet lifetime of the annihilator are the most crucial parameters for high TTA induced delayed fluorescence. From an analysis of the experimentally determined rates an efficiency of 16–40 % was determined for the combined TET and TTA processes using THF, DMSO and toluene as solvents. (DPA=9,10‐diphenylanthracene, OEP=2,3,7,8,12,13,17,18‐octaethyl‐21H,23H‐porphyrin)