bluuebunny/crossref_metadata_2025_split huggingface dataset:
Trajectories of sentiment in 11,816 psychoactive narratives
Authors: Friedman Sam Freesun , Ballentine Galen 
Published: December 2023

AbstractObjectiveCan machine learning (ML) enable data‐driven discovery of how changes in sentiment correlate with different psychoactive experiences? We investigate by training models directly on text testimonials from a diverse 52‐drug pharmacopeia.MethodsUsing large language models (i.e. BERT) and 11,816 publicly‐available testimonials, we predicted 28‐dimensions of sentiment across each narrative, and then validated these predictions with adjudication by a clinical psychiatrist. BERT was then fine‐tuned to predict biochemical and demographic information from these narratives. Lastly, canonical correlation analysis linked the drugs' receptor affinities with word usage, revealing 11 statistically‐significant latent receptor‐experience factors, each mapped to a 3D cortical Atlas.ResultsThese methods elucidate a neurobiologically‐informed, sequence‐sensitive portrait of drug‐induced subjective experiences. The models' results converged, revealing a pervasive distinction between the universal psychedelic heights of feeling in contrast to the grim, mundane, and personal experiences of addiction and mental illness. Notably, MDMA was linked to “Love”, DMT and 5‐MeO‐DMT to “Mystical Experiences” and “Entities and Beings”, and other tryptamines to “Surprise”, “Curiosity” and “Realization".ConclusionsML methods can create unified and robust quantifications of subjective experiences with many different psychoactive substances and timescales. The representations learned are evocative and mutually confirmatory, indicating great potential for ML in characterizing psychoactivity.
The CD40/CD40 ligand dyad and its downstream effector molecule ISG54 in relating acute neuroinflammation with persistent, progressive demyelination
Authors: Hazra Bishal , Das Sarma Jayasri 
Published: December 2023

AbstractAlthough Multiple Sclerosis (MS) is primarily thought to be an autoimmune condition, its possible viral etiology must be taken into consideration. When mice are administered neurotropic viruses like mouse hepatitis virus MHV‐A59, a murine coronavirus, or its isogenic recombinant strain RSA59, neuroinflammation along with demyelination are observed, which are some of the significant manifestations of MS. MHV‐A59/RSA59 induced neuroinflammation is one of the best‐studied experimental animal models to understand the viral‐induced demyelination concurrent with axonal loss. In this experimental animal model, one of the major immune checkpoint regulators is the CD40‐CD40L dyad, which helps in mediating both acute‐innate, innate‐adaptive, and chronic‐adaptive immune responses. Hence, they are essential in reducing acute neuroinflammation and chronic progressive adaptive demyelination. While CD40 is expressed on antigen‐presenting cells and endothelial cells, CD40L is expressed primarily on activated T cells and during severe inflammation on NK cells and mast cells. Experimental evidences revealed that genetic deficiency of both these proteins can lead to deleterious effects in an individual. On the other hand, interferon‐stimulated genes (ISGs) possess potent antiviral properties and directly or indirectly alter acute neuroinflammation. In this review, we will discuss the role of an ISG, ISG54, and its tetratricopeptide repeat protein Ifit2; the genetic and experimental studies on the role of CD40 and CD40L in a virus‐induced neuroinflammatory demyelination model.
Evaluation of chromosomal abnormalities in the postnatal cohort: A single‐center study on 14,242 patients
Authors: Akalin Hilal , Sahin Izem Olcay , Paskal Seyma Aktas , Tan Busra , Yalcinkaya Ezgi , Demir Mikail , Yakubi Mustafa , Caliskan Busra Ozguc , Ekinci Ozlem Gokce , Ercan Mehmet , Kucuk Tugce Yasar , Gokgoz Gizem , Kiraz Aslihan , Per Huseyin , Ozgun Mahmut Tuncay , Baydilli Numan , Ozkul Yusuf , Dundar Munis 
Published: December 2023

AbstractBackground and AimChromosomal analysis is a laboratory technique used to examine the chromosomes of an individual, offering insights into chromosome numbers, structures, and arrangements to diagnose and comprehend genetic diseases. This retrospective study provides a comprehensive understanding of the distribution by indications in a large cohort of 14,242 patients and the frequency of chromosomal abnormalities in different clinical populations.MethodThe study examined various indications for karyotype evaluation, with recurrent pregnancy loss being the most common indication, followed by intellectual disability, dysmorphic features, congenital anomalies, and developmental delay.ResultsThe overall chromosomal abnormality rate was found to be 5.4%, with numerical abnormalities accounting for the majority of cases (61.7%). Trisomies, particularly trisomy 21, were the most frequent numerical abnormalities. In terms of structural abnormalities, inversions and translocations were the most commonly identified. The rates of chromosomal anomalies varied in specific indications such as amenorrhea, disorders of sex development, and Turner syndrome. The study also highlighted significant differences between males and females in the presence of chromosomal abnormalities across certain indications. Males exhibited a higher incidence of chromosomal abnormalities in cases of Down syndrome and infertility, whereas females showed higher abnormalities in terms of recurrent pregnancy loss.ConclusionWhile this study provides valuable insights into the frequency and distribution of chromosomal abnormalities, it has limitations, including its retrospective design and reliance on data from a single medical genetics department. Nevertheless, the findings emphasize the importance of karyotype analysis in diagnosing chromosomal disorders and providing appropriate management, while also pointing to potential gender‐related variations in chromosomal abnormalities that warrant further investigation.
Extracellular vesicles derived from nasopharyngeal carcinoma induce the emergence of mature regulatory dendritic cells using a galectin‐9 dependent mechanism
Authors: Lefebvre Anthony , Trioën Camille , Renaud Sarah , Laine William , Hennart Benjamin , Bouchez Clément , Leroux Bertrand , Allorge Delphine , Kluza Jérôme , Werkmeister Elisabeth , Grolez Guillaume Paul , Delhem Nadira , Moralès Olivier 
Published: December 2023

AbstractNasopharyngeal carcinoma‐derived small extracellular vesicles (NPCSEVs) have an immunosuppressive impact on the tumour microenvironment. In this study, we investigated their influence on the generation of tolerogenic dendritic cells and the potential involvement of the galectin‐9 (Gal9) they carry in this process. We analysed the phenotype and immunosuppressive properties of NPCSEVs and explored the ability of DCs exposed to NPCSEVs (NPCSEV‐DCs) to regulate T cell proliferation. To assess their impact at the pathophysiological level, we performed real‐time fluorescent chemoattraction assays. Finally, we analysed phenotype and immunosuppressive functions of NPCSEV‐DCs using a proprietary anti‐Gal9 neutralising antibody to assess the role of Gal9 in this effect. We described that NPCSEV‐DCs were able to inhibit T cell proliferation despite their mature phenotype. These mature regulatory DCs (mregDCs) have a specific oxidative metabolism and secrete high levels of IL‐4. Chemoattraction assays revealed that NPCSEVs could preferentially recruit NPCSEV‐DCs. Finally, and very interestingly, the reduction of the immunosuppressive function of NPCSEV‐DCs using an anti‐Gal9 antibody clearly suggested an important role for vesicular Gal9 in the induction of mregDCs. These results revealed for the first time that NPCSEVs promote the emergence of mregDCs using a galectin‐9 dependent mechanism and open new perspectives for antitumour immunotherapy targeting NPCSEVs.
Evolution of filiform polyposis from classical pseudopolyposis in a pediatric ulcerative colitis patient
Authors: Liaw Victor , Park Jason , Barth Bradley , Santolaya Jacobo 
Published: December 2023

AbstractFiliform polyposis (FP) is a morphologic variant of pseudopolyposis associated with inflammatory conditions of the gastrointestinal tract, namely, inflammatory bowel disease. Pediatric cases are uncommon in the literature. Here, we present a pediatric patient with FP arising from ulcerative colitis (UC). He initially presented at 7 years of age for an acute UC flare and was found to have classical pseudopolyposis. A follow‐up colonoscopy at age 9 showed the evolution of classical pseudopolyposis to FP. The patient clinically improved with sulfasalazine monotherapy and remained in remission based on consistent pediatric ulcerative colitis activity index scores of zero and normal‐range inflammatory markers. Repeat surveillance colonoscopy at age 14 showed persistent and diffuse FP in the background of healthy colonic mucosa. This case documents the development of FP from classical pseudopolyps in the setting of an asymptomatic patient in clinical remission.
Bioactive compound composition and cellular antioxidant activity of fig (Ficus carica L.)
Authors: Yang Qiuxia , Guo Yushan , Zhu Hong , Jiang Yueming , Yang Bao 
Published: December 2023

AbstractBACKGROUNDFig (Ficus carica L.) fruit is consumed worldwide as a functional food. It contains phytochemicals that have been related to health benefits. However, the characteristic chemicals remain unclear. In this work, phytochemicals were prepared from figus by ultrasound‐assisted extraction under optimized conditions. The chemical composition of fig fruit and leaves was characterized by ultra‐high performance liquid chromatography‐tandem mass spectrometry (UPLC‐MS/MS).RESULTSOne hundred and fifty‐seven compounds were identified, including 58 flavonoids, 29 coumarins, 19 acids, 15 terpenoids, 11 alkaloids, and 25 other compounds. The mass spectrum (MS) fragmentation pathways of representative chemicals were elucidated. Flavonoid glycosides and prenylated flavonoids were mainly present in fig fruit, whereas coumarins were abundant in leaves. Both fig fruit and leaf extracts showed good cellular antioxidant activity.CONCLUSIONThe full phytochemical profile of fig was revealed by UPLC‐MS/MS. Prenylated flavonoids and prenylated coumarins were the characteristic phytochemicals. These data provided useful information for the extensive utilization of fig fruit in functional food. © 2023 Society of Chemical Industry.
Designing Ratiometric Mechanoluminescence via Threshold Manipulation in Sandwich Structures
Authors: Yang Xiuxia , Cheng Yao , Liu Zhichao , Zhang Jian , Xu Ju , Lin Hang , Wang Yuansheng 
Published: December 2023

AbstractThe rapid development of mechanoluminescence (ML)‐based stress‐sensing has drawn wide concern for real‐time stress‐visualized detection. While the traditional ML‐intensity‐dependent stress‐sensing is challenged in terms of reliability and stress‐sensing visualization, ratiometric ML featured with stress‐dependent ML color variation provides an alternative solution. Herein, a strategy based on the manipulation of initial ML threshold of the individual phosphor via the flexible sandwich structure to realize ratiometric ML has been proposed. The two independent ML materials with different stress‐sensitivity can be incorporated into a sandwich structure to construct ratiometric ML, where the stress‐dependent ML color variation can be feasibly modified by means of judicious adjustment of sandwich structure. This strategy offers a versatile and convenient design solution for ratiometric ML aiming at stress‐visualized quantitative analysis.
The effect of frequency (64–498 MHz) on specific absorption rate adjacent to metallic orthopedic screws in MRI: A numerical simulation study
Authors: Jacobs Paul , Fagan Andrew J. 
Published: December 2023

AbstractBackgroundThe imaging of patients with implanted electrically‐conductive devices via magnetic resonance imaging at ultra‐high fields is hampered by uncertainties relating to the potential for inducing tissue heating adjacent to the implant due to coupling of energy from the incident electromagnetic field into the implant. Existing data in the peer‐reviewed literature of comparisons across field strengths of tissue heating and its surrogate, the specific absorption rate (SAR), is scarce and contradictory, leading to further doubts pertaining to the safety of imaging patients with such devices.PurposeThe radiofrequency‐induced SAR adjacent to orthopedic screws of varying length and at frequencies of 64 to 498 MHz was investigated via full‐wave electromagnetic simulations, to provide an accurate comparison of SAR across MRI field strengths.MethodsDipole antennas were used for RF transmission to achieve a uniform electric field tangential to the screws located 120 mm above the antenna midpoints, embedded in a bone‐mimicking material. The input power to the antennas was constrained to achieve the following targets without the screw present: (i) E = 100 V/m, (ii) B1+ = 2 μT, and (iii) global‐average‐SAR = 3.2 W/kg. Simulations were performed with a spatial resolution of 0.2 mm in the volume surrounding the screws, resulting in 76–137 MCells, noting the maximum 1 g‐averaged SAR value in each case. Simulations were repeated at 128 and 297 MHz for screws embedded in muscle tissue.ResultsThe peak SAR, occurring at the resonant screw length, substantially increased as the frequency decreased when the input power to the dipole antenna was constrained to achieve constant electric field in background tissue at the screws’ locations. A similar pattern was observed when constraining input power to achieve constant B1+ and global‐average‐SAR. The dielectric properties of the tissue in which the screws were embedded dominated the SAR comparisons between 297 and 128 MHz.ConclusionsThe study design allowed for a direct comparison to be performed of SAR across frequencies and implant lengths without the confounding effect of variable incident electric field. Lower frequencies produced substantially larger SAR values for implants approaching the resonant length for the worst‐case uniform incident electric field along the screws’ length. The data may inform risk‐benefit assessments for imaging patients with orthopedic implants at the new clinical field strength of 7 Tesla.
Polarization transfer methods for quantitative analysis of flowing mixtures with benchtop 13C NMR spectroscopy
Authors: Phuong Johnnie , Romero Zeno , Hasse Hans , Münnemann Kerstin 
Published: December 2023

AbstractBenchtop NMR spectroscopy is attractive for process monitoring; however, there are still drawbacks that often hamper its use, namely, the comparatively low spectral resolution in 1H NMR, as well as the low signal intensities and problems with the premagnetization of flowing samples in 13C NMR. We show here that all these problems can be overcome by using 1H‐13C polarization transfer methods. Two ternary test mixtures (one with overlapping peaks in the 1H NMR spectrum and one with well‐separated peaks, which was used as a reference) were studied with a 1 T benchtop NMR spectrometer using the polarization transfer sequence PENDANT (polarization enhancement that is nurtured during attached nucleus testing). The mixtures were analyzed quantitatively in stationary as well as in flow experiments by PENDANT enhanced 13C NMR experiments, and the results were compared with those from the gravimetric sample preparation and from standard 1H and 13C NMR spectroscopy. Furthermore, as a proxy for a process monitoring application, continuous dilution experiments were carried out, and the composition of the mixture was monitored in a flow setup by 13C NMR benchtop spectroscopy with PENDANT. The results demonstrate the high potential of polarization transfer methods for applications in quantitative process analysis with benchtop NMR instruments, in particular with flowing samples.
Predicting 51V nuclear magnetic resonance observables in molecular crystals
Authors: Hartman Joshua D. , Capistran Daniel 
Published: December 2023

AbstractSolid‐state nuclear magnetic resonance (NMR) spectroscopy and quantum chemical density functional theory (DFT) calculations are widely used to characterize vanadium centers in biological and pharmaceutically relevant compounds. Several techniques have been recently developed to improve the accuracy of predicted NMR parameters obtained from DFT. Fragment‐based and planewave‐corrected methods employing hybrid density functionals are particularly effective tools for solid‐state applications. A recent benchmark study involving molecular crystal compounds found that fragment‐based NMR calculations using hybrid density functionals improve the accuracy of predicted 51V chemical shieldings by 20% relative to traditional planewave methods. This work extends the previous study, including a careful analysis of 51V chemical shift anisotropy, electric field gradient calculations, and a more extensive test set. The accuracy of planewave‐corrected techniques and recently developed fragment‐based methods using electrostatic embedding based on the polarized continuum model (PCM) are found to be highly competitive with previous methods. Planewave‐corrected methods achieve a 34% improvement in the errors of predicted 51V chemical shieldings relative to planewave. Additionally, planewave‐corrected and fragment‐based calculations were performed using PCM embedding, improving the accuracy of predicted 51V chemical shielding (CS) tensor principal values by 30% and
values by 15% relative to traditional planewave methods. The performance of these methods is further examined using a redox‐active oxovandium complex and a common 51V NMR reference compound.
A reliable external calibration method for reaction monitoring with benchtop NMR
Authors: Maschmeyer Tristan , Conklin Breanna , Malig Thomas C. , Russell David J. , Kurita Kenji L. , Hein Jason E. , Napolitano José G. 
Published: December 2023

AbstractNuclear magnetic resonance (NMR) spectroscopy is a powerful analytical technique with the ability to acquire both quantitative and structurally insightful data for multiple components in a test sample. This makes NMR spectroscopy a desirable tool to understand, monitor, and optimize chemical transformations. While quantitative NMR (qNMR) approaches relying on internal standards are well‐established, using an absolute external calibration scheme is beneficial for reaction monitoring as resonance overlap complications from an added reference material to the sample can be avoided. Particularly, this type of qNMR technique is of interest with benchtop NMR spectrometers as the likelihood of resonance overlap is only enhanced with the lower magnetic field strengths of the used permanent magnets. The included study describes a simple yet robust methodology to determine concentration conversion factors for NMR systems using single‐ and multi‐analyte linear regression models. This approach is leveraged to investigate a pharmaceutically relevant amide coupling batch reaction. An on‐line stopped‐flow (i.e., interrupted‐flow or paused‐flow) benchtop NMR system was used to monitor both the 1,1′‐carbonyldiimidazole (CDI) promoted acid activation and the amide coupling. The results highlight how quantitative measurements in benchtop NMR systems can provide valuable information and enable analysts to make decisions in real time.
Validation of single reference variable flip angle (SR‐VFA) dynamic T1 mapping with T2* correction using a novel rotating phantom
Authors: Malmberg Michael A. , Odéen Henrik , Hofstetter Lorne W. , Hadley J. Rock , Parker Dennis L. 
Published: December 2023

AbstractPurposeTo validate single reference variable flip angle (SR‐VFA) dynamic T1 mapping with and without T2* correction against inversion recovery (IR) T1 measurements.MethodsA custom cylindrical phantom with three concentric compartments was filled with variably doped agar to produce a smooth spatial gradient of the T1 relaxation rate as a function of angle across each compartment. IR T1, VFA T1, and B1+ measurements were made on the phantom before rotation, and multi‐echo stack‐of‐radial dynamic images were acquired during rotation via an MRI‐compatible motor. B1+‐corrected SR‐VFA and SR‐VFA‐T2* T1 maps were computed from the sliding window reconstructed images and compared against rotationally registered IR and VFA T1 maps to determine the percentage error.ResultsBoth VFA and SR‐VFA‐T2* T1 maps fell within 10% of IR T1 measurements for a low rotational speed, with a mean accuracy of 2.3% ± 2.6% and 2.8% ± 2.6%, respectively. Increasing rotational speed was found to decrease the accuracy due to increasing temporal smoothing over ranges where the T1 change had a nonconstant slope. SR‐VFA T1 mapping was found to have similar accuracy as the SR‐VFA‐T2* and VFA methods at low TEs (˜<2 ms), whereas accuracy degraded strongly with later TEs. T2* correction of the SR‐VFA T1 maps was found to consistently improve accuracy and precision, especially at later TEs.ConclusionSR‐VFA‐T2* dynamic T1 mapping was found to be accurate against reference IR T1 measurements within 10% in an agar phantom. Further validation is needed in mixed fat–water phantoms and in vivo.
Hyperpolarized [1‐13C] pyruvate MRSI to detect metabolic changes in liver in a methionine and choline‐deficient diet rat model of fatty liver disease
Authors: Piraquive Agudelo Joao , Kim Yaewon , Agarwal Shubhangi , Sriram Renuka , Bok Robert , Kurhanewicz John , Mattis Aras N. , Maher Jacquelyn J. , von Morze Cornelius , Ohliger Michael A. 
Published: December 2023

AbstractPurposeNonalcoholic fatty liver disease is an important cause of chronic liver disease. There are limited methods for monitoring metabolic changes during progression to steatohepatitis. Hyperpolarized 13C MRSI (HP 13C MRSI) was used to measure metabolic changes in a rodent model of fatty liver disease.MethodsFifteen Wistar rats were placed on a methionine‐ and choline‐deficient (MCD) diet for 1–18 weeks. HP 13C MRSI, T2‐weighted imaging, and fat‐fraction measurements were obtained at 3 T. Serum aspartate aminotransaminase, alanine aminotransaminase, and triglycerides were measured. Animals were sacrificed for histology and measurement of tissue lactate dehydrogenase (LDH) activity.ResultsAnimals lost significant weight (13.6% ± 2.34%), an expected characteristic of the MCD diet. Steatosis, inflammation, and mild fibrosis were observed. Liver fat fraction was 31.7% ± 4.5% after 4 weeks and 22.2% ± 4.3% after 9 weeks. Lactate‐to‐pyruvate and alanine‐to‐pyruvate ratios decreased significantly over the study course; were negatively correlated with aspartate aminotransaminase and alanine aminotransaminase (r = −[0.39–0.61]); and were positively correlated with triglycerides (r = 0.59–0.60). Despite observed decreases in hyperpolarized lactate signal, LDH activity increased by a factor of 3 in MCD diet–fed animals. Observed decreases in lactate and alanine hyperpolarized signals on the MCD diet stand in contrast to other studies of liver injury, where lactate and alanine increased. Observed hyperpolarized metabolite changes were not explained by alterations in LDH activity, suggesting that changes may reflect co‐factor depletion known to occur as a result of oxidative stress in the MCD diet.ConclusionHP 13C MRSI can noninvasively measure metabolic changes in the MCD model of chronic liver disease.