bluuebunny/crossref_metadata_2025_split huggingface dataset:
Society for birth defects research and prevention's multidisciplinary research needs workshop 2022: A call to action
Authors: Basu Madhumita , Howdeshell Kembra L. , Rasmussen Sonja A. , Rychlik Kristal A. , Knudsen Thomas B. , Shuey Dana L. , Slikker William 
Published: May 2023

AbstractThe Society for Birth Defects Research and Prevention (BDRP) strives to understand and protect against potential hazards to developing embryos, fetuses, children, and adults by bringing together scientific knowledge from diverse fields. The theme of 62nd Annual Meeting of BDRP, “From Bench to Bedside and Back Again”, represented the cutting‐edge research areas of high relevance to public health and significance in the fields of birth defects research and surveillance. The multidisciplinary Research Needs Workshop (RNW) convened at the Annual Meeting continues to identify pressing knowledge gaps and encourage interdisciplinary research initiatives. The multidisciplinary RNW was first introduced at the 2018 annual meeting to provide an opportunity for annual meeting attendees to participate in breakout discussions on emerging topics in birth defects research and to foster collaboration between basic researchers, clinicians, epidemiologists, drug developers, industry partners, funding agencies, and regulators to discuss state‐of‐the‐art methods and innovative projects. Initially, a list of workshop topics was compiled by the RNW planning committee and circulated among the members of BDRP to obtain the most popular topics for the Workshop discussions. Based on the pre‐meeting survey results, the top three discussion topics selected were, A) Inclusion of pregnant and lactating women in clinical trials. When, why, and how? B) Building multidisciplinary teams across disciplines: What cross‐training is needed? And C) Challenges in applications of Artificial Intelligence (AI) and machine learning for risk factor analysis in birth defects research. This report summarizes the key highlights of the RNW workshop and specific topic discussions.
Design, Synthesis, and Biological Evaluation of Dexibuprofen Derivatives as Novel Anti‐Inflammatory, Antioxidant and Molecular Docking Studies
Authors: Raza Asim , Abbas Khan Mohsin , Ahmad Irshad , Ur Rehman Sajid , Khaliq Saharish , Ahmed Javed , Awan Breena , Ullah Farhat , Masood Anum , Ahmed Naveed 
Published: May 2023

AbstractProdrugs of dexibuprofen having ester moieties instead of free carboxylic acid which involves in gastrointestinal side effects have been synthesized. Dexibuprofen acid was condensed with different alcohols/phenols to afford the ester prodrugs. All of the synthesized prodrugs were characterized by their physical attributes, elemental analysis, FT‐IR, 1H‐NMR, and 13C‐NMR spectroscopy. The in vitro anti‐inflammatory studies was done by chemiluminescence technique reflect prodrugs have been more potent, owing to the different chemical structures. Lipoxygenase enzyme inhibition assay was also assess and found compound DR7 with IC50=19.8 μM), DR9 (IC50=24.8 μM) and DR3 (IC50=47.2 μM) as compared with Dexibuprofen (IC50=156.6 μM). It was also evaluated for docking studies revealed that DR7 has found to be more potent anti‐inflammatory against 5‐LOX (3 V99) as well as analgesic against COX‐II (5KIR) enzyme. Anti‐oxidant activities were also performed, DR3 (86.9 %), DR5 (83.5 %), DR7 (93.9 %) and DR9 (87.4 %) were found to be more anti‐oxidant as compared to (2S)‐2‐[4‐(2‐methylpropyl)phenyl]propanoic acid (52.7 %).
Picroside III, an Active Ingredient of Picrorhiza scrophulariiflora, Ameliorates Experimental Colitis by Protecting Intestinal Barrier Integrity
Authors: Huan Qiuchan , Gao Zhengxian , Wu Peigen , Zhang Yingdi , Xiao Haitao , Peng Jiao 
Published: May 2023

AbstractThis study aims to explore the protective effects of Picroside III, an active ingredient of Picrorhiza scrophulariiflora, on the intestinal epithelial barrier in tumor necrosis factor‐α (TNF‐α) induced Caco‐2 cells and dextran sulfate sodium (DSS) induced colitis in mice. Results show that Picroside III significantly alleviated clinical signs of colitis including body weight loss, disease activity index increase, colon shortening, and colon tissue damage. It also increased claudin‐3, ZO‐1 and occludin expressions and decreased claudin‐2 expression in the colon tissues of mice with colitis. In vitro, Picroside III also significantly promoted wound healing, decreased the permeability of cell monolayer, upregulated the expressions of claudin‐3, ZO‐1 and occludin and downregulated the expression of claudin‐2 in TNF‐α treated Caco‐2 cells. Mechanism studies show that Picroside III significantly promoted AMP‐activated protein kinase (AMPK) phosphorylation in vitro and in vivo, and blockade with AMPK could significantly attenuate the upregulation of Picroside III in ZO‐1 and occludin expressions and the downregulation of claudin‐2 expression in TNF‐α treated Caco‐2 cells. In conclusion, this study demonstrates that Picroside III attenuated DSS‐induced colitis by promoting colonic mucosal wound healing and epithelial barrier function recovery via the activation of AMPK.
Serum‐Based Detection of Liver Pathology Using a Fluorogenic Alkaline Phosphatase Probe
Authors: Zhou Tijian , Li Li , Zhu Zhirong , Chen Xiaoyan , Wang Qi , Zhu Wei‐Hong 
Published: May 2023

AbstractDevelopment of “ultrahigh contrast” fluorogenic probes for trapping alkaline phosphatase (ALP) activities in human serum is highly desirable for clinical auxiliary diagnosis for hepatobiliary diseases. However, the intrinsic dilemma of incomplete ionization of intramolecular charge transfer (ICT)‐based ALP fluorophores and autofluorescence interference of serum result in low sensitivity and accuracy. Given that unique halogen effects could lead to a drastic decrease in the pKa value and a significant enhancement in the fluorescence quantum yield, herein we report an enzyme‐activatable near‐infrared probe based on a difluoro‐substituted dicyanomethylene‐4H‐chromenep for achieving fluorescent quantification of human serum ALP. Rational design strategy is demonstrated by altering the substituted halogen groups to well regulate the pKa for meeting the physiological precondition. Owing to the complete ionization at pH 7.4 with tremendous fluorescence enhancement, the difluoro‐substituted DCM‐2F‐HP manifests a linear relationship between the emission intensity and ALP concentration in both solution and serum samples. Along with measuring 77 human serum samples, the DCM‐2F‐HP based fluorescence method not only exhibits significant correlations with clinical colorimetry, but also distinguishes ALP patients from healthy volunteers, as well as assessing the progress of liver disease, thus providing a potential toolbox for quantitatively detecting ALP and warning the stage of hepatopathy.
Medical management of feline emphysematous hepatitis—A case report
Authors: Palko Corinna , Durkan Samuel 
Published: May 2023

Key Clinical MessageCase report summary: A 9–year‐old male castrated domestic shorthair feline was presented to the emergency department with a chief complaint of constipation of 3‐day duration, decreased urination of 1‐day duration, vomiting, and hind limb weakness. Physical examination abnormalities included hypothermia, dehydration, and generalized paresis with inability to stand for a prolonged period of time. Abdominal ultrasonography showed pinpoint hyperechoic foci throughout the hepatic parenchyma, small gas foci circulating within the portal vasculature consistent with emphysematous hepatitis, and mild volume of ascites. Cytology of the ascites was consistent with inflammatory effusion. Hepatic cytology was consistent with mixed inflammation/hepatitis with no apparent cause for inflammation noted. Urine culture yielded a negative result. Surgical liver biopsy and culture were declined by the patient's family. Ultrasound changes were presumed to be most likely secondary to an ascending infection.
Catalytic Hydrogenation of Hemicellulosic Sugars: Reaction Kinetics and Influence of Sugar Structure on Reaction Rate**
Authors: Freitas Victoria D. S. , Paez Ana , Fongarland Pascal , Philippe Régis , Vilcocq Léa 
Published: May 2023

AbstractHemicelluloses are a major component of lignocellulosic biomass. Different sugars can be obtained from hemicelluloses: xylose, arabinose, galactose, mannose, glucose. Their catalytic hydrogenation produces polyols: xylitol, arabinitol, dulcitol, mannitol, sorbitol, which are valuable chemicals and platform molecules. In this paper, the hydrogenation of sugars was investigated with a Ru/TiO2 catalyst. The influence of temperature, pressure, xylose concentration and catalyst amount was studied for xylose hydrogenation and a Langmuir‐Hinshelwood kinetic model was designed. The comparative study of five hemicellulose sugars showed a strong impact of sugar structure on hydrogenation rate: hexoses (glucose, mannose, galactose) react slower than pentoses (xylose, arabinose).
Expanding the Portfolio by a Novel Monomeric Oleate Hydratase from Pediococcus parvulus
Authors: Prem Sophia A. , Helmer Carl P. O. , Loll Bernhard , Garbe Daniel , Brück Thomas 
Published: May 2023

AbstractOleate hydratases convert oleic acid into 10‐hydroxy stearic acid, a valuable fine chemical, useful in lubricant and surfactant formulations. They are of large interest due to their high expression rates and solubility, however, they differ drastically by their overall stability and pH‐ and temperature ranges. To expand their portfolio, another oleate hydratase named OhyPp (originating from Pediococcus parvulus) was characterized. It is a close relative of the well‐known oleate hydratase OhyRe from Rhodococcus erythropolis. OhyPp is only the second member of the monomeric oleate hydratase family with some surprising catalytic features. A distinct characteristic is OhyPp's higher affinity towards FAD compared to OhyRe's helping to understand and improve FAD binding in the future, which is a current drawback for the industrial application of oleate hydratases.
A Bimetallic Benzene‐1,2,4,5‐Tetrathiolate (btt) Molybdenocene Complex Cp2Mo(btt)MoCp2: Radical and Diradical States
Authors: Youssef Khalil , Poidevin Corentin , Vacher Antoine , Gal Yann Le , Charpentier Oscar , Fourmigué Marc , Fihey Arnaud , Barrière Frédéric , Roisnel Thierry , Lorcy Dominique 
Published: May 2023

AbstractBenzene‐1,2,4,5‐tetrathiolate (btt) has been used as a bridging ligand to prepare a redox active (molybdenocene dithiolene)‐based bimetallic complex Cp2Mo(btt)MoCp2, which exhibits four successive electron transfers up to the tetracation. Spectro‐electrochemical investigations together with DFT and TD‐DFT calculations evidence that the two electroactive MoS2C2 metallacycles are electronically coupled in the monocationic as in the dicationic state. Two salts of the dication [Cp2Mo(btt)MoCp2]2+ have been structurally characterized with PF6− and HSO4− counterions, showing different chair or boat conformations associated with variable folding angles of the two MoS2C2 metallacycles along the S−S hinge. The bis‐oxidized dicationic complex exhibits a diradical character, with both radicals essentially localized on the metallacycles and with antiferromagnetic coupling evidenced from magnetic susceptibility measurements.
Potent and Selective Cell‐Active Iminosugar Inhibitors of Human α‐N‐Acetylgalactosaminidase (α‐NAGAL)
Authors: Ashmus Roger A. , Wang Yang , González‐Cuesta Manuel , King Dustin T. , Tiet Ben , Chen Xi , Zhu Yanping , Kirk Bryce , García Fernandez José M. , Ortiz Mellet Carmen , Britton Robert , Vocadlo David J. 
Published: May 2023

AbstractGlycoside hydrolases (GHs) are a class of enzymes with emerging roles in a range of disease. Selective GH inhibitors are sought to better understand their functions and assess the therapeutic potential of modulating their activities. Iminosugars are a promising class of GH inhibitors but typically lack the selectivity required to accurately perturb biological systems. Here, we describe a concise synthesis of iminosugar inhibitors of N‐acetyl‐α‐galactosaminidase (α‐NAGAL), the GH responsible for cleaving terminal α‐N‐acetylgalactosamine residues from glycoproteins and other glycoconjugates. Starting from non‐carbohydrate precursors, this modular synthesis supported the identification of a potent (490 nM) and α‐NAGAL selective (∼200‐fold) guanidino‐containing derivative DGJNGuan. To illustrate the cellular activity of this new inhibitor, we developed a quantitative fluorescence image‐based method to measure levels of the Tn‐antigen, a cellular glycoprotein substrate of α‐NAGAL. Using this assay, we show that DGJNGuan exhibits excellent inhibition of α‐NAGAL within cells using patient derived fibroblasts (EC50=150 nM). Moreover, in vitro and in cell assays to assess levels of lysosomal β‐hexosaminidase substrate ganglioside GM2 show that DGJNGuan is selective whereas DGJNAc exhibits off‐target inhibition both in vitro and within cells. DGJNGuan is a readily produced and selective tool compound that should prove useful for investigating the physiological roles of α‐NAGAL.
EnT‐Mediated Amino‐Sulfonylation of Alkenes with Bifunctional Sulfonamides: Access to β‐Amino Sulfone Derivatives
Authors: Sang Ji‐Wei , Du Peiyu , Xia Dingding , Zhang Yu , Wang Jinxin , Zhang Wei‐Dong 
Published: May 2023

Abstractβ‐Amino sulfones are commonly found structural motifs in biologically active compounds. Herein, we report a direct photocatalyzed amino‐sulfonylation reaction of alkenes for the efficicient production of important compounds by simple hydrolysis without the need for additional oxidants and reductants. In this transformation, the sulfonamides worked as bifunctional reagents, simultaneously generating sulfonyl radicals and N‐centered radicals which were added to alkene in a highly atom‐economical fashion with high regioselectivity and diastereoselectivity. This approach showed high functional group tolerance and compatibility, facilitating the late‐stage modification of some bioactive alkenes and sulfonamide molecules, thereby expanding the biologically relevant chemical space. Scaling up this reaction led to an efficient green synthesis of apremilast, one of the best‐selling pharmceuticals, demonstrating the synthetic utility of the applied method. Moreover, mechanistic investigations suggest that an energy transfer (EnT) process was in operation.
N‐terminal pro‐B‐type natriuretic peptide improves the predictive value of CHA2DS2‐VASc risk score for long‐term cardiovascular events in acute coronary syndrome patients with atrial fibrillation
Authors: Mu Xuefei , Qiu Miaohan , Li Yi , Li Ziqi , Qi Bin , Jing Zilan , Jing Quanmin 
Published: May 2023

AbstractBackgroundIt is important to identify patients with co‐morbid acute coronary syndrome (ACS) and atrial fibrillation (AF) at high risk and adopt proper management strategies to improve their prognosis.HypothesisThe addition of N‐terminal pro‐B‐type natriuretic peptide (NT‐proBNP) could improve predictive value for long‐term cardiovascular events beyond the CHA2DS2‐VASc score in patients with co‐morbid ACS and AF.MethodsA total of 1223 patients with baseline NT‐proBNP between January 2016 and December 2019 were included in the study. The primary endpoint was all‐cause death at 12 months. The secondary outcomes included 12‐month cardiac death and major adverse cardiovascular and cerebrovascular event (MACCE), defined as a composite of all‐cause death, myocardial infarction, or stroke.ResultsA higher serum of NT‐proBNP levels was strongly associated with increased risks of all‐cause death (adjusted hazard ratio [HR]: 1.05, 95% confidence interval [CI], 1.03–1.07), cardiac death (adjusted HR: 1.05, 95% CI, 1.03–1.07), and MACCE (adjusted HR: 1.04, 95% CI, 1.02–1.06). The prognostic accuracy of the CHA2DS2‐VASc score was improved when combined with NT‐proBNP to yield a 9%, 11%, and 7% increment for the discrimination of long‐term risk for all‐cause mortality (area under curve [AUC]: from 0.64 to 0.73), cardiac death (AUC: from 0.65 to 0.76), and MACCE (AUC: from 0.62 to 0.69), respectively.ConclusionsIn patients with ACS and AF, NT‐proBNP is a potential biomarker to enhance risk discrimination for all‐cause death, cardiac death, and MACCE in combination with the CHA2DS2‐VASc score.
Screening of biohydrogen producing endophytic fungi from biodiesel plants
Authors: Paul Susmita , Bhagobaty Ranjan Kumar , Nihalani Mool Chand , Joshi Santa Ram 
Published: May 2023

ABSTRACTBiohydrogen from endophytic fungi constitutes an alternative biofuel resource with considerable advantages over biodiesel and ethanol extracted from existing food crops. Endophytes common in plant tissues mimic host physiological behavior and produce primary and secondary metabolites like oils and fats. Therefore, endophytes from 7 selected biodiesel plants, and 30 endophytic fungi isolated from 170 different plant parts were screened. The methodology included staining, lipid analysis, DNA isolation, molecular characterization, identification of fungal isolates by ITS sequences, biodiesel analysis, characterization of volatile organic compounds (VOCs), and statistical analysis. The fungal endophyte isolate SPSRJ28 was the most significant with an accumulation capacity of more than 20% of the total lipid content of its dry biomass, validating its oleaginous nature. In addition, the endophytes investigated in the present study yielded various VOCs that were validated by chromatography for both standards and isolates. When the VOCs were subsequently analyzed for their prospective usage as myco‐diesel, the presence of methane in the isolate SPSRJ28 was found to be highly significant. These findings remarkably support the investigation of endophytic fungi and their relationship with oleaginous plants as alternative sources of bioactive metabolites from microbial cell factories for myco‐diesel generation.
Advanced NMR Characterization of Aquasolv Omni (AqSO) Biorefinery Lignins/Lignin‐Carbohydrate Complexes
Authors: Schlee Philipp , Tarasov Dmitry , Rigo Davide , Balakshin Mikhail 
Published: May 2023

AbstractOur recently reported AquaSolv Omni (AqSO) process shows great potential as a parameter‐controlled type of biorefinery, which allows tuning of structure and properties of the products towards their optimal use in high‐value applications. Herein, a comprehensive NMR (quantitative 13C, 31P, and 2D heteronuclear single‐quantum coherence) structural characterization of AqSO lignins is reported. The effect of the process severity (P‐factor) and liquid‐to‐solid ratio (L/S) on the structure of the extracted lignins has been investigated and discussed. Low severity (P‐factor in the range 400–600) and L/S=1 led to the isolation of less degraded lignin with a higher β‐O‐4 content up to 34/100 Ar. Harsher processing conditions (P‐factor=1000–2500) yielded more condensed lignins with a high degree of condensation up to 66 at P‐factor=2000. New types of lignin moieties, such as alkyl‐aryl and alkyl‐alkyl chemical bonds together with novel furan oxygenated structures have been identified and quantified for the first time. In addition, the formation of lignin carbohydrate complexes bonds has been hypothesized at low severity and L/S. Based on the obtained data we were able to formulate a possible outlook of the occurring reactions during the hydrothermal treatment. Overall, such detailed structural information bridges the gap from process engineering to sustainable product development.
Cytomorphological findings of Trichophyton rubrum infection in an elderly hypertensive woman
Authors: Shah Saman , Bohara Sangita , Saxena Mohiny , Goel Nidhi , Srivastava Jyoti 
Published: May 2023

AbstractTrichophyton is a dermatophytic fungi causing superficial skin infections which affects outermost layer of the epidermis, stratum corneum, and mainly involves feet, groin, scalp, and nails. Invasion into the dermis occurs mainly in immunocompromised patients. A 75‐year‐old hypertensive female presented with a nodular swelling on the dorsum of right foot for 1 month. The swelling was 1.0 × 1.0 cm and gradually progressive in nature. FNAC revealed many thin filamentous branching and fungal hyphae along with foreign body granulomas and suppurative acute inflammation. The swelling was excised and sent for histopathological examination which confirmed the above findings. Periodic Acid Schiff stain showed fungal hyphae in both cytology smear as well as histopathology section. On fungal culture, microconidia with septate hyphae suggestive of Trichophyton rubrum was seen. Trichophytons mainly affect immunocompromised and diabetic patients, however, may present as nodular lesions without any history of superficial dermatophytosis as seen in the present case. The characteristic cytological picture helped to clinch the diagnosis in this case and facilitated further management.
Opening up new niche dimensions: The stoichiometry of soil microarthropods in European beech and Norway spruce forests
Authors: Warnke Lara , Hertel Dietrich , Scheu Stefan , Maraun Mark 
Published: May 2023

AbstractNiche theory fundamentally contributed to the understanding of animal diversity. However, in soil, the diversity of animals seems enigmatic since the soil is a rather homogeneous habitat, and soil animals are often generalist feeders. A new approach to understand soil animal diversity is the use of ecological stoichiometry. The elemental composition of animals may explain their occurrence, distribution, and density. This approach has been used before in soil macrofauna, but this study is the first to investigate soil mesofauna. Using inductively coupled plasma optic emission spectrometry (ICP‐OES), we analyzed the concentration of a wide range of elements (Al, Ca, Cu, Fe, K, Mg, Mn, Na, P, S, Zn) in 15 soil mite taxa (Oribatida, Mesostigmata) from the litter of two different forest types (beech, spruce) in Central Europe (Germany). Additionally, the concentration of carbon and nitrogen, and their stable isotope ratios (15N/14N,13C/12C), reflecting their trophic niche, were measured. We hypothesized that (1) stoichiometry differs between mite taxa, (2) stoichiometry of mite taxa occurring in both forest types is not different, and (3) element composition is correlated to trophic level as indicated by15N/14N ratios. The results showed that stoichiometric niches of soil mite taxa differed considerably indicating that elemental composition is an important niche dimension of soil animal taxa. Further, stoichiometric niches of the studied taxa did not differ significantly between the two forest types. Calcium was negatively correlated with trophic level indicating that taxa incorporating calcium carbonate in their cuticle for defense occupy lower trophic positions in the food web. Furthermore, a positive correlation of phosphorus with trophic level indicated that taxa higher in the food web have higher energetic demand. Overall, the results indicate that ecological stoichiometry of soil animals is a promising tool for understanding their diversity and functioning.