bluuebunny/crossref_metadata_2025 huggingface dataset:
Antioxidant and Antidiabetic Potential of Ormocarpum cochinchinense (Lour.) Merr. Leaf: An Integrated In vitro and In silico Approach
Authors: Katturajan Ramkumar , Shivaji Priyadharshini , Nithiyanandam Sangeetha , Parthasarathy Manisha , Magesh Shalini , Vashishth Rahul , Radhakrishnan Vidya , Prince Sabina Evan
Published: January 2024

Diabetes is a prevalent metabolic disorder associated with various complications. Inhibition of α‐glucosidase and α‐amylase enzymes is an effective strategy for managing non‐insulin‐dependent diabetes mellitus. This study aimed to investigate the antioxidant and antidiabetic potential of Ormocarpum cochinchinense leaf through in vitro and in silico approaches. The methanol extract exhibited the highest phenolic and flavonoid content over solvent extracts aqueous, acetone, hexane, and chloroform, the same has been correlating with strong antioxidant activity. Furthermore, the methanol extract demonstrated significant inhibitory effects on α‐amylase and α‐glucosidase enzymes, indicating its potential as an antidiabetic agent. Molecular docking analysis identified compounds, including myo‐inositol, with favorable binding energies comparable to the standard drug metformin. The selected compounds displayed strong binding affinity towards α‐amylase and α‐glucosidase enzymes. Structural dynamics analysis revealed that myo‐inositol formed a more stable complex with the enzymes. These findings suggest that O. cochinchinense leaf possesses antioxidant and antidiabetic properties, making it a potential source for developing therapeutic agents.
Anti‐rheumatic potential vis‐à‐vis aconitine and hypaconitine content analysis in different Aconitum spp. from Sikkim Himalayas (India)
Authors: Kumar Bhanu , Misra Ankita , Rawat Poonam , Agnihotri Priyanka , Srivastava Sharad
Published: January 2024

Aconitum spp. are important medicinal plants mentioned in Ayurveda as Ativisa or Vatsanabha. The present study aims to evaluate anti‐rheumatic potential in seven Aconitum species and correlation with aconitine and hypaconitine content. Anti‐rheumatic potential was analyzed through in vitro xanthine oxidase inhibition, anti‐inflammatory and ROS scavenging assays; and quantification of aconitine and hypaconitine with RP‐HPLC method validated as per ICH guidelines. The findings reveal that A. palmatum possessed the most promising response (IC50=12.68±0.15 μg/ml) followed by A. ferox (IC50=12.912±1.87 μg/ml) for xanthin oxidase inhibition. We observed a wide variation in aconitine and hypaconitine content ranging from 0.018 %–1.37 % and 0.0051 %–0.077 % respectively on dry weight basis. Aconitine and hypaconitine showed moderate positive correlation (r=0.68 and 0.59 respectively) with anti‐rheumatic potential. The study identifies potential alternative species of Aconitum that can help in sustainable availability of quality raw material.
Chemical Characterization, Phenolic Compounds Quantification, and Assessment of Antioxidant and Anti‐Acetylcholinesterase Activities of Byrsonima sericea DC fruits
Authors: da Silva Lopes Francisco Flávio , Luís Eloi Silva Jorge , de Morais Pereira Eloi Natália , Moreira Rodrigues Ana Lívya , da Silva Marcus Vinicius Ferreira , Montes Renato Almeida , Gomes Barbosa Sara Ingrid Caetano , Ribeiro Alves Daniela , Soares Frota Lucas , de Morais Selene Maia
Published: January 2024

Byrsonima sericea is a species native to Brazil that is widely used in traditional medicine. The seed ethanol extract (SEE) had the highest content of total phenols (179.35 mg GAE g−1 extract) and flavonoids (10.42 mg QE g−1 extract) and was the most active in relation to antioxidant activity (DPPH: IC50=4.25 μg mL−1 and ABTS: IC50=4.82 μg mL−1). The peel/pulp ethanol extract (PEE) had the best anticholinesterase activity (IC50=6.02 μg mL−1). Chromatographic investigation identified gallic acid, isoquercitrin, quercetin and amentoflavone in SEE, and gallic acid, isoquercitrin, quercetin and rutin in PEE. Six fatty acid methyl esters and seven triterpenes were identified, highlighting oleic acid in the seed hexane extract (61.85 %) and in the peel/pulp hexane extract (52.61 %), and betulin in the peel/pulp hexane extract (5.25 %). The substances and biological activities identified in B. sericea characterize this fruit as a functional food for future studies.
Coupling of Heteroatom Dopants and Intrinsic Carbon Defects for High‐Efficiency Electrocatalytic Oxygen Reduction
Authors: Ye Guanying , Tian Min , Liu Suqin , He Zhen
Published: January 2024

Defective engineering of carbon, including introduction of heteroatom dopants and creation of intrinsic carbon defects, to alter the surface electronic/spin state of the carbon matrix has become a vital research area of carbon‐based catalysts toward oxygen reduction reaction (ORR). When the heteroatom dopants and carbon intrinsic defects in the carbon matrix are spatially close enough, they could couple each other and synergistically endow the active centers with special electronic structures that might greatly enhance the ORR catalytic activities of the carbon‐based catalysts. In this concept, we propose a conceptual idea of coupling sites composed of heteroatom dopants and intrinsic carbon defects, systematically summarize the types of the coupling sites and their synergistic mechanisms for catalyzing the ORR, and present feasible ideas and major challenges for efficient construction and verification of the coupling sites. This concept might be enlightening for in‐depth studies on the design, construction, and understanding the structure‐activity relationship of high‐efficiency active sites in the carbon‐based catalysts.
The influence of nutritional habits, body mass index and intestinal microbiota in mastocytosis on clinical symptoms using conventional culture and next generation sequencing
Authors: Harcęko‐Zielińska Ewelina , Niedoszytko Marek , Górska Aleksandra , Małgorzewicz Sylwia , Gruchała‐Niedoszytko Marta , Bronk Marek , Dąbrowski Slawomir , Chełminska Marta , Jassem Ewa
Published: January 2024

Background

Mastocytosis is a rare neoplastic disease of the bone marrow associated with the proliferation and accumulation of mast cells in various internal organs, including the gastrointestinal tract. There are few studies describing the gut microbiome of patients with mastocytosis using next generation sequencing supported using traditional culture methods. The aims of the study were, firstly, the determination of nutrition habits, composition of the intestinal microflora and BMI in mastocytosis, and secondly, analysis of mastocytosis severity and symptoms depending on the composition of the intestinal microflora.

Methods

The study included 47 patients with indolent systemic mastocytosis and 18 healthy controls. All participants gave their informed consent to participate in the study. The study consisted of 3 parts: I‐clinical assessment, II ‐ examination of the intestinal microflora using the biochemical method, III ‐ 16S rRNA sequencing.

Results

The nutrition habits and BMI of mastocytosis patients were similar to controls; however, most patients with mastocytosis had a low dietary vitamin and mineral content. As many as 94.5% of patients had too little fiber intake and mineral content. The most common cause of the abnormal stool test result with traditional culture was a titer of E. coli <106. The low richness of microbiota species indicated by the Simpson index was observed in mastocytosis, p = 0.04. There were no significant differences in the composition of the intestinal microflora depending on the type of mastocytosis; however, the tryptase level correlated with the amount of Suterella, Barnesiellaceae, Eubacterium, Odoribacter, and Anaerostipes.

Conclusions

The nutritional habits and BMI of mastocytosis patients are similar to the general population, except for too little fiber intake and mineral content. The gastrointestinal symptoms of mastocytosis patients may be related to the low richness of microbiota species and the amount of Suterella, Barnesiellaceae, Eubacterium, Odoribacter, Anaerostipes, which correlated with tryptase levels.
Targeted multiparametric magnetic resonance imaging/transrectal ultrasound‐guided (mpMRI/TRUS) fusion prostate biopsy versus systematic random prostate biopsy: A comparative real‐life study
Authors: Pham Trang H. N. , Schulze‐Hagen Maximilian F. , Rahnama'i Mohammad S.
Published: January 2024

Background

Patients with suspected prostate cancer usually undergo transrectal ultrasound‐guided (TRUS) systematic biopsy, which can miss relevant prostate cancers and lead to overtreatment.

Aims

The aim of this study was to evaluate the detection rate for prostate cancer in MR‐guided targeted biopsy (TB) and systematic biopsy (SB) in comparison with mpMRI of the prostate.

Methods and results

Three hundred and eight men who underwent mpMRI due to elevated PSA values between 2015 and 2020 were studied at university hospital Aachen, Germany. MRI‐images were divided into cohorts with suspicious findings (PI‐RADS ≥ 3) and negative findings (PI‐RADS < 3). In patients with PI‐RADS ≥ 3 TB combined with SB was performed. A part of this group underwent RP subsequently. In patients with PI‐RADS < 3 and clinical suspicion SB was performed. In the PI‐RADS ≥ 3 group (n = 197), TB combined with SB was performed in 194 cases. Three cases were lost to follow‐up. Biopsy yielded 143 positive biopsies and 51 cases without carcinoma. TB detected 71% (102/143) and SB 98% (140/143) of the overall 143 carcinoma. Overall, 102 carcinomas were detected by TB, hereof 66% (67/102) clinically significant (Gleason ≥ 3+4) and 34% (35/102) clinically insignificant carcinoma (Gleason 3+3). SB detected 140 carcinomas, hereof 64% (90/140) csPCA and 36% (50/140) nsPCA. Forty‐one of the overall 143 detected carcinoma were only found by SB, hereof 46% (19/41) csPCA and 54% (22/41) nsPCA. Tumor locations overlapped in 44% (63/143) between TB and SB. In 25% (36/143), SB detected additional tumor foci outside the target lesions. 70/143 patients subsequently underwent RP. The detection of tumor foci was congruent between mpMRI and prostatectomy specimen in 79% (55/70) of cases. Tumor foci were mpMRI occult in 21% (15/70) of cases. In the group with negative mpMRI (n = 111), biopsy was performed in 81 cases. Gleason ≥ 3+4 carcinoma was detected in 7% and Gleason 3+3 in 24% cases.

Conclusion

There was a notable number of cases in which SB detected tumor foci that were mpMRI occult and could have been missed by TB alone. Therefore, additional systematic random biopsy is still required. A supplemental random biopsy should be considered depending on the overall clinical suspicion in negative mpMRI.
Iridium‐based Polymeric Multifunctional Imaging Tools for Biochemistry
Authors: Sansee Anuson , Kostka Libor , Marcalíková Adéla , Kudláčová Júlia , Sedlák František , Kotrchová Lenka , Šácha Pavel , Etrych Tomáš , Kielar Filip
Published: January 2024

Herein, we report the development of a macromolecular multifunctional imaging tool for biological investigations, which is comprised of an N‐(2‐hydroxypropyl)methacrylamide backbone, iridium‐based luminescent probe, glutamate carboxypeptidase II (GCPII) targeting ligand, and biotin affinity tag. The iridium luminophore is a tris‐cyclometalated complex based on [Ir(ppy)3] with one of its 2‐phenylpyridine ligands functionalized to allow conjugation. Synthesized macromolecular probes differed in the structure of the polymer and content of the iridium complex. The applicability of the developed imaging tools has been tested in flow cytometry (FACS) based assay, laser confocal microscopy, and fluorescence lifetime imaging microscopy (FLIM). The FACS analysis has shown that the targeted iBodies containing the iridium luminophore exhibit selective labelling of GCPII expressing cells. This observation was also confirmed in the imaging experiments with laser confocal microscopy. The FLIM experiment has shown that the iBodies with the iridium label exhibit a lifetime greater than 100 ns, which distinguishes them from typically used systems labelled with organic fluorophores exhibiting short fluorescence lifetimes. The results of this investigation indicate that the system exhibits interesting properties, which supports the development of additional biological tools utilizing the key components (iridium complexes, iBody concept), primarily focusing on the longer lifetime of the iridium emitter.
1D and 2D Coordination Polymers of Calcium with Nonsteroidal Anti‐Inflammatory Drugs: Synthesis, Crystal Structures, Hirshfeld Surfaces, Antimicrobial and Antioxidant Activities
Authors: Gacki Michał , Kafarska Karolina , Korona‐Głowniak Izabela , Schab Patrycja , Wojciechowski Jakub , Gierczak Natalia , Wolf Wojciech M.
Published: January 2024

Four alkaline earth metal complexes of ketoprofen (Hket) and indomethacin (Hind) were synthesized and characterized: [Ca(ket)2(H2O)2]n (1), [Mg(ket)2(H2O)2] (2), [Ca(ind)2(EtOH)2]n (3), and [Mg(ind)2(EtOH)2] (4). All compounds were studied by elemental analysis (EA), flame atomic absorption spectrometry (FAAS), Fourier transform infrared spectroscopy (FTIR), and thermogravimetric analysis (TGA). Crystal structures of 1 and 3 were determined by single crystal X‐ray diffraction technique T=100 K. The structure of 1 is dominated by a one‐dimensional coordination polymer, while 3 is formed by a two‐dimensional layer stabilized by the calcium zig‐zag chains and π⋅⋅⋅π stacking interactions. Crystal packing arrangements were characterized by fingerprint plots (FPs) that were derived from the Hirshfeld surfaces (HSs). The antioxidant and antimicrobial activities of complexes were evaluated against Gram‐positive and Gram‐negative bacteria as well as yeasts.
N‐substituted pyrrole carboxylic acid derivatives from 3,4‐dihydroxyketons
Authors: Laudage Tatjana , Hüsing Torben , Rühmann Broder , Beer Barbara , Schmermund Luca , Sieber Volker
Published: January 2024

Since the chemical industry is largely dependent on petrol‐based feedstocks, new sources are required for a sustainable industry. Conversion of biomass to high‐value compounds provides an environmentally friendly and sustainable approach, which might be a potential solution to reduce petrol‐based starting materials. This also applies for N‐heterocycles, which are a common structural motif in natural products, pharmaceuticals and functional polymers. The synthesis of pyrroles is a well‐studied and established process. Nevertheless, most routes described are not in line with the principles of green and sustainable chemistry and employ harsh reaction conditions and harmful solvents. In this study, 3,4‐dihydroxyketons are used as excellent platform chemicals for the production of N‐substituted pyrrole‐2‐carboxylic‐ and pyrrole‐2,5‐dicarboxylic acids, as they can be prepared from glucose through the intermediate d‐glucarate and converted into pyrrolic acid derivatives under mild conditions in water. The scope of this so far unknown reaction was examined using a variety of primary amines and aqueous ammonium chloride leading to pyrrolic acid derivatives with N‐substituents like alkane‐, alkene‐, phenyl‐ and alcohol‐groups with yields up to 20 %. The combination of both, enzymatic conversion and chemical reaction opens up new possibilities for further process development. Therefore, a continuous chemo‐enzymatic system was set up by first employing an immobilized enzyme to catalyze the conversion of d‐glucarate to the 3,4‐dihydroxyketone, which is further converted to the pyrrolic acid derivatives by a chemical step in continuous flow.
Total Capital Investment of plastic recycling plants correlates with energy losses and capacity
Authors: De Tommaso Jacopo , Galli Federico , Weber Robert , Dubois Jean‐Luc , Patience Gregory S.
Published: January 2024

Plastic pollution is a generational problem, and stakeholders are turning to chemical recycling as a potential solution. However, decision‐makers necessitate quick and reliable capital investment estimations to evaluate innovative technologies, especially in the early project stage, when limited historical data are available. To address this need, we built a database of 160+ chemical recycling plants, querying for nominal capacity, year and place of construction, total capital investment (TCI), number of long‐term jobs and opportunity of subsidies. Then, we compared conventional association of the advancement of cost engineering AACE class 5 estimation methods, with literature estimates, and commercial capital expenditure confidence intervals for pyrolysis, gasification, solvolysis, and selective dissolution. We demonstrate the unreliability of classic methods, and we propose ballpark correlations based on the plant capacity, or the energy loss. Chemical recycling plants suffer from poor economy of scale (with current technologies), and capacity is not always the best indicator for TCI estimation. Pyrolysis and gasification are energy‐driven technologies, and their TCI correlates very well (R2=0.91–0.92) with the total energy losses. Solvolysis and selective dissolution, instead, are at an earlier development stage, so cost engineers or researchers will have to accept less certain TCI vs capacity (R2=0.60).
A phase II study to evaluate the safety and efficacy of anlotinib combined with toripalimab for advanced biliary tract cancer
Authors: Zhou Mingzhen , Jin Yuncheng , Zhu Sihui , Xu Chen , Li Lin , Liu Baorui , Shen Jie
Published: January 2024

Objectives

To assess the safety and efficacy of anlotinib (a multi‐targeted tyrosine kinase inhibitor) combined with toripalimab (a PD‐1 monoclonal antibody) in the treatment of unresectable biliary tract cancer (BTC).

Methods

In this prospective, single‐arm, single‐centre exploratory clinical study, patients with locally progressed or metastatic BTC were included. Patients were treated with anlotinib (12 mg, PO, QD, for 2 weeks and then stopped for a week, 21 days for a cycle) and toripalimab (240 mg, IV, Q3W). The primary endpoint of the study was the objective response rate (ORR), as defined in RECIST version 1.1 criteria.

Results

In this study, 15 BTC patients who met the criteria were enrolled. The ORR was 26.7%, the median progression‐free survival (mPFS) was 8.6 months (95% CI: 2.1–15.2), the median overall survival (mOS) was 14.53 months (95% CI: 0.8–28.2) and the disease control rate (DCR) was 87.6%. A patient with hilar cholangiocarcinoma was successfully converted after three cycles of treatment and underwent surgical resection. Furthermore, patient gene sequencing revealed that STK11 was mutated more frequently in patients with poor outcomes. In addition, patients with a CD8/Foxp3 ratio > 3 had a longer survival than those with a CD8/Foxp3 ratio ≤ 3 (P = 0.0397).

Conclusions

In patients with advanced BTC, the combination of anlotinib and toripalimab demonstrated remarkable anti‐tumor potential, with increased objective response rates (ORR), longer overall survival (OS) and progression‐free survival (PFS). Moreover, STK11 and CD8/Foxp3 may be as biomarkers that can predict the effectiveness of targeted therapy in combination with immunotherapy.
Cytomorphological comparison of ThinPrep and SurePath liquid‐based cytology in thyroid fine‐needle aspiration
Authors: Lee Wen‐Ying , Wang Hsiu‐Chu , Tien Kai‐Jen
Published: January 2024

Background

The two widely established systems for liquid‐based cytology (LBC), ThinPrep and SurePath, employ different principles. The aim of this study was to compare the cytomorphology of thyroid lesions prepared by the two techniques.

Methods

We retrospectively reviewed 44 thyroid FNA specimens prepared by LBC, including 20 ThinPrep and 22 SurePath. Cytologic diagnoses were made according to the Bethesda system and cytomorphologic parameters were evaluated.

Results

Acellular smears were significantly frequent in ThinPrep than SurePath (10% vs. 0%). Both techniques produced a clean background, well cell preservation, and not apparent cell shrinkage. ThinPrep showed significantly lower cellularity than SurePath (25% vs. 4.3%). ThinPrep produced considerable flattening and fragmented clusters, while SurePath contained larger clusters in a three‐dimensional configuration. Colloid was significantly reduced in amount and fragmented in ThinPrep, and was easily observed in SurePath. In cases of Hashimoto's thyroiditis, ThinPrep produced much less leukocytes in background than SurePath. Aggregates of fibrin and leukocytes were frequently present in 10/16 cases (62.5%) processed by ThinPrep. Air‐dry artifact at periphery of the ring was present in 6/16 cases (37.5%) processed by ThinPrep. The nuclear features of papillary carcinoma were similarly evident in both LBC preparations.

Conclusion

SurePath seems to be superior to ThinPrep for diagnosing benign entities based on adequate representation of colloid and lymphocytes. The cell quality of both techniques in thyroid FNA was comparable, while each method introduces its own unique cytologic artifacts related to its methodology. We should recognize the cytomorphologic alterations to avoid misinterpretations.
Detection of FG‐4592 and metabolites in equine plasma, urine and hair following oral administration
Authors: Cutler Charlotte , Viljanto Marjaana , Taylor Polly , Hincks Pamela , Habershon‐Butcher Jocelyn , Gray Bobby , Scarth James
Published: January 2024

FG‐4592 is a hypoxia‐inducible factor inhibitor that has been approved for therapeutic use in some countries. This class of compounds can increase the oxygen carrying capacity of the blood and thus have the potential to be used as performance enhancing agents in sports. The purpose of this study was to investigate the detection of FG‐4592 and metabolites in equine plasma and mane hair following a multiple dose oral administration to two Thoroughbred racehorses, to identify the best analytical targets for doping control laboratories. Urine samples were also analysed, and the results compared to previously published urine data. Liquid chromatography‐high resolution mass spectrometry was used for metabolite identification in urine and plasma. Liquid chromatography–tandem mass spectrometry was used for full sample analysis of urine, plasma and hair samples and generation of urine and plasma profiles. FG‐4592 and a mono‐hydroxylated metabolite were detected in plasma. FG‐4592 was detected with the greatest abundance and gave the longest duration of detection, up to 312 h post‐administration, and would be the recommended target in routine doping samples. FG‐4592 was detected in all mane hair samples collected post‐administration, up to 166 days following the final dose, showing extended detection can be achieved with this matrix. To the best of the authors' knowledge, this is the first report of FG‐4592 and metabolites in equine plasma and hair samples. Urine results were consistent with the previously published data, with FG‐4592 offering the best target for detection and longest detection periods.
Natural history and outcomes in paediatric RASopathy‐associated hypertrophic cardiomyopathy
Authors: Boleti Olga , Norrish Gabrielle , Field Ella , Dady Kathleen , Summers Kim , Nepali Gauri , Bhole Vinay , Uzun Orhan , Wong Amos , Daubeney Piers E. F. , Stuart Graham , Fernandes Precylia , McLeod Karen , Ilina Maria , Ali Muhammad Najih Liaqath , Bharucha Tara , Donne Grazia Delle , Brown Elspeth , Linter Katie , Jones Caroline B. , Searle Jonathan , Regan William , Mathur Sujeev , Boyd Nicola , Reinhardt Zdenka , Duignan Sophie , Prendiville Terence , Adwani Satish , Kaski Juan Pablo
Published: January 2024

Aims

This study aimed to describe the natural history and predictors of all‐cause mortality and sudden cardiac death (SCD)/equivalent events in children with a RASopathy syndrome and hypertrophic cardiomyopathy (HCM).

Methods and results

This is a retrospective cohort study from 14 paediatric cardiology centres in the United Kingdom and Ireland. We included children <18 years with HCM and a clinical and/or genetic diagnosis of a RASopathy syndrome [Noonan syndrome (NS), NS with multiple lentigines (NSML), Costello syndrome (CS), cardiofaciocutaneous syndrome (CFCS), and NS with loose anagen hair (NS‐LAH)]. One hundred forty‐nine patients were recruited [111 (74.5%) NS, 12 (8.05%) NSML, 6 (4.03%) CS, 6 (4.03%) CFCS, 11 (7.4%) Noonan‐like syndrome, and 3 (2%) NS‐LAH]. NSML patients had higher left ventricular outflow tract (LVOT) gradient values [60 (36–80) mmHg, P = 0.004]. Over a median follow‐up of 197.5 [inter‐quartile range (IQR) 93.58–370] months, 23 patients (15.43%) died at a median age of 24.1 (IQR 5.6–175.9) months. Survival was 96.45% [95% confidence interval (CI) 91.69–98.51], 90.42% (95% CI 84.04–94.33), and 84.12% (95% CI 75.42–89.94) at 1, 5, and 10 years, respectively, but this varied by RASopathy syndrome. RASopathy syndrome, symptoms at baseline, congestive cardiac failure (CCF), non‐sustained ventricular tachycardia (NSVT), and maximal left ventricular wall thickness were identified as predictors of all‐cause mortality on univariate analysis, and CCF, NSVT, and LVOT gradient were predictors for SCD or equivalent event.

Conclusions

These findings highlight a distinct category of patients with Noonan‐like syndrome with a milder HCM phenotype but significantly worse survival and identify potential predictors of adverse outcome in patients with RASopathy‐related HCM.
Stoichiometric Reactions between the Rhodium/Iridium Complexes and 2‐Vinylbenzaldehyde Derivatives: Synthesis and Characterization of Rhodaindanone and Iridaindanone Complexes
Authors: Chu Zhenwei , Zheng Xuejuan , Lin Yuqi , Luo Ming , Xia Haiping
Published: January 2024

Utilizing rhodium complexes to catalyze 2‐vinylbenzaldehyde derivatives has proven to be a valuable strategy in constructing indanone moieties. In this study, the stoichiometric reactions of Wilkinson's catalyst RhCl(PPh3)3 with 2‐vinylbenzaldehyde derivatives were investigated, leading to the formation of rhodaindanone complexes (2). Notably, the transformation of of rhoda‐1‐indanone (2 a) to rhoda‐2‐indanone (3) was achieved for the first time. In comparision, the reactivity of IrCl(PPh3)3 and Ir(CO)(CH3CN)(PPh3)2 ⋅ BF4 towards 2‐vinylbenzaldehyde derivatives affords irida‐2‐indanone complexes (4) and fused iridacycles (5), respectively. These newly prepared coumpounds represent the first metellacycles resulting from the reactions between 2‐vinylbenzaldehyde derivatives and rhodium/iridium complexes and may provide further insights into the catalytic processes involving 2‐vinylbenzaldehyde derivatives for synthesizing indanone compounds.
Structural Trends and Vibrational Analysis of N,N,N′,N′−Tetramethylmalonamide Complexes Across the Lanthanide Series
Authors: Kravchuk Dmytro V. , Wang Xiaoyu , Servis Michael J. , Wilson Richard E.
Published: January 2024

Fundamental understanding of coordination chemistry across the lanthanide series is essential for explaining chemical behavior of rare‐earth metals in complex liquid‐liquid extraction processes, which in turn affects the distribution ratios and efficacy of separations as a whole. In this work, we explore the structural trends between the lanthanides and a neutral N,N,N′,N′−tetramethylmalonamide (TMMA) ligand within four isolated families of solid‐state compounds: Ln(trans‐TMMA)2(NO3)3 Ln=La−Nd, Sm; Ln(cis‐TMMA)2(NO3)3 Ln=Eu−Tb, Er; [Ln(TMMA)3(NO3)2][Ln(TMMA)(NO3)4] Ln=Dy−Tm; Ln(Κ2‐TMMA)(iPrOH)(NO3)3 and Ln(Κ1‐TMMA)(Κ2‐TMMA)(NO3)3 Ln=Yb, Lu. Moving across the lanthanide series, we note the formation of both discrete charge‐neutral complexes, as well as charged molecular anion‐cation pairs, with variations in spatial ligand arrangement, coordination numbers, and ligand denticities. IR and Raman spectroscopy paired with DFT frequency calculations were used for an in‐depth investigation of vibrational modes unique to each structural family. The collection of isolated model compounds was also discussed in the context of liquid‐liquid separations based on reported distribution ratios from malonamide extraction.
From Phenols to Antimicrobial Phenazines: Tyrosinase‐like Catalytic Activity of a Bisguanidine Based Bis(μ‐oxido) Complex
Authors: Laurini Larissa , Conte Salvatore Marco , Hüser Karl , Cordero Paul R. F. , Núñez Ponce Heliana Michaela , Zimmer Stefanie , Lauterbach Lars , Herres‐Pawlis Sonja
Published: January 2024

The catalytically active center of the enzyme tyrosinase, standing out for its unusual substrate diversity, consists of a side‐on μ‐η2:η2‐peroxido complex (SP). Several ligand systems stabilizing a SP and able to mimic the catalytic activity of the enzyme towards simple phenolic substrates are known. Only a few catalytically active systems based on the isoelectronic isomer structure of SP, a bis(μ‐oxido)dicopper(III) complex (O), were investigated until now. Two years ago, we presented with the TMGbenza a hybrid guanidine based tyrosinase model system stabilizing an O species with an exceptional substrate diversity. Herein we studied the catalytic activity of another O species stabilized by the bisguanidine ligand TMG2tol. The reaction conditions for the catalytic oxygenation were optimized and a broad spectrum of phenolic substrates like naphthol, quinolinols and indolols was tested. Naturally occurring phenazine derivatives like phenazine‐1‐carboxylamide (PCN) and phenazine‐1‐carboxylic acid (PCA) show antifungal as well as antibacterial activity, functioning as biological control agents against crop disease like take‐all. Hence, the synthesized phenazines were evaluated for their potential antimicrobial activities against representative gram‐positive and gram‐negative bacteria.
A Facile Approach to Develop Polyvinyl Alcohol‐Based Bio‐Triboelectric Nanogenerator Containing Graphene‐ Doped Zinc Oxide Quantum Dots
Authors: Yempally Swathi , Cabibihan John John , Ponnamma Deepalekshmi
Published: January 2024

This article presents an environmentally friendly, low‐cost polymer nanocomposite, polyvinyl alcohol/sodium alginate‐graphene‐zinc oxide (PVA‐SA/G‐ZnO) based triboelectric nanogenerator by spin coating. ZnO quantum dots of average particle size <10 nm and the graphene oxide (GO)‐doped ZnO are synthesized by co‐precipitation following ageing. ZnO and G‐ZnO particles are filled into the PVA/SA blend system using the solution mixing method. Spin‐coated films of ≈1.2 μm and casted films of 120 μm thicknesses were used to prepare triboelectric nanogenerators (TENGs) to test the output voltage performances. Irrespective of the thickness values, the films gave similar voltage responses with contact electrification. This illustrates triboelectric power generation as a surface charge carrier phenomenon based on morphological analyses by scanning electron microscope (SEM) and atomic force microscopy (AFM). The maximum output voltage of 0.24 V was approximately 5 times higher for the PVA/SA composite containing 2 wt% G‐ZnO nanomaterials compared to the neat polymer are obtained. The nanocomposites also demonstrate excellent dielectric constant (22 times higher) values, suggesting the role of the biodegradable thin‐film TENGs in various self‐powering devices.
A lineage perspective on hominin taxonomy and evolution
Authors: Martin Jesse M. , Leece A. B. , Baker Stephanie E. , Herries Andy I. R. , Strait David S.
Published: January 2024

An uncritical reliance on the phylogenetic species concept has led paleoanthropologists to become increasingly typological in their delimitation of new species in the hominin fossil record. As a practical matter, this approach identifies species as diagnosably distinct groups of fossils that share a unique suite of morphological characters but, ontologically, a species is a metapopulation lineage segment that extends from initial divergence to eventual extinction or subsequent speciation. Working from first principles of species concept theory, it is clear that a reliance on morphological diagnosabilty will systematically overestimate species diversity in the fossil record; because morphology can evolve within a lineage segment, it follows that early and late populations of the same species can be diagnosably distinct from each other. We suggest that a combination of morphology and chronology provides a more robust test of the single‐species null hypothesis than morphology alone.
Effects of fermentation with different probiotics on the quality, isoflavone content, and flavor of okara beverages
Authors: Li Yixue , Song Hong , Zhang Zunqin , Li Ran , Zhang Ying , Yang Lina , Li Jun , Zhu Danshi , Liu Jun , Yu Hansong , Liu He
Published: January 2024

The present study aimed to prepare and evaluate a new probiotic functional beverage, using single‐probiotic and compound probiotic fermentation on okara. Four different forms of fermentation microorganisms used were Lacticaseibacillus rhamnosus S24 (Lr), Lacticaseibacillus paracasei 6244 (Lp), Lactobacillus acidophilus 11,073 (La), and mixed fermentation (Lr + Lp + La). The physicochemical properties, antioxidant activity, flavor change, and storage period of fermented okara beverages with probiotics were investigated. The results showed that different fermentation schemes could significantly improve the physicochemical properties, antioxidant activity, and sensory quality of the okara beverages. The number of viable bacteria in the Lp group (3.53 × 108 CFU/mL), isoflavone content (0.514 μg/mL) were the highest; total phenol and flavonoid content were 3.32 and 5.68 times higher than in the CK group, respectively. DPPH and ABTS+ free radical scavenging rates were increased by 11.32% and 20%, respectively (p < .05). Through SPME/GC–MS analysis, 44 volatile compounds were identified in the Lr + Lp + La groups, mainly as a result of changes in alcohols and aldehydes produced by fermentation metabolism. It enhances the floral and fruity aroma of the okara beverage. All probiotic‐fermented okara beverages can be stored at 4°C for 15 days, with probiotic activity greater than 107 CFU/mL. This study can obtain a probiotic okara beverage rich in soybean isoflavones and with good flavor. Overall, okara can be used to develop functional beverages containing probiotics and contribute to a zero‐waste approach in the food industry.
Digitizing observations from the 1861–1875 Met Office Daily Weather Reports using citizen scientist volunteers
Authors: Craig Philip M. , Hawkins Ed
Published: January 2024

We describe the transcription and quality control processes for rescuing around 570,000 sub‐daily and daily weather observations which were recorded in the UK Met Office Daily Weather Reports during the 1861–1875 period. These data are from the start of coordinated weather observations and were collected with the aim of making the first‐ever weather forecasts. The observations were rescued thanks to 3500 volunteers and include sub‐daily sea‐level pressure, dry and wet bulb temperatures, daily maximum and minimum temperatures, and daily rainfall amounts from 70 different locations across Western Europe, and one in Canada. We highlight how these observations will be used to fill gaps in existing pressure and temperature datasets and use two case studies to show how the pressure observations will likely better constrain the atmospheric circulation during two severe storms. We also compare a sub‐sample of the newly rescued observations with data that were previously digitized for a small number of locations for the same dates, finding good agreement in general, although some discrepancies remain.
Hemiplegia in acute ischemic stroke: A comprehensive review of case studies and the role of intravenous thrombolysis and mechanical thrombectomy
Authors: Carrillo Navarrete Karen Adriana , Chapa González Christian
Published: January 2024

Acute ischemic stroke is a significant health concern worldwide, often leading to long‐term disability and decreased quality of life. Rapid and appropriate treatment is crucial for achieving optimal outcomes in these patients. Intravenous thrombolysis (IVT) and mechanical thrombectomy (MT) are two commonly used interventions for acute ischemic stroke, but their effectiveness in improving neurological symptoms and functional outcomes in patients with hemiplegia remains uncertain. The aim of this work was to evaluate the impact of IVT and MT within a 4.5‐h time frame on patients with acute ischemic stroke and hemiplegia. A systematic review was conducted following the Preferred Reporting Items for Systematic Reviews and Meta‐Analyses guidelines. Relevant studies that assessed the impact of IVT and MT within 4.5‐h on hemiplegia in patients with an acute ischemic stroke were included. Data were extracted and analyzed to determine the overall effects of these interventions. Most included case reports indicate positive outcomes in terms of neurological symptom improvement and functional recovery in patients with hemiplegia after receiving IVT and MT within the specified time frame. However, the heterogeneity among the patients and the limited use of IVT due to contraindications posed challenges in determining the most effective treatment option. The findings from the included studies demonstrate that both interventions led to a decrease in National Institutes of Health Stroke Scale scores, indicating an improvement in neurological symptoms. The results highlight the beneficial effects of early thrombolytic interventions and MT on the neurological status and functional outcomes of patients with an acute ischemic stroke.
Second‐trimester dilatation and evacuation: Comparison of routine intraoperative ultrasonography versus problem‐based intraoperative ultrasonography in reducing procedure‐related complications: A pre‐post study
Authors: Sium Abraham Fessehaye , Tolu Lemi Belay , Wolderufael Mekdes , Tufa Tesfaye , A. Abubeker Ferid , Prager Sarah
Published: January 2024

Objective

To investigate whether routine intraoperative ultrasonographic guidance during second‐trimester dilatation and evacuation (D&E) reduces procedure‐related complications in an Ethiopian setting.

Methods

We conducted a pre‐post study on routine ultrasonography during second‐trimester D&E at St. Paul's Hospital Millennium Medical College (Ethiopia). Second‐trimester D&E cases that were managed at the hospital between 2017 and 2022 were retrospectively analyzed by grouping them into an intervention group (using routine ultrasound intraoperatively for all cases) and a non‐intervention group (problem‐based intraoperative use of ultrasound, where ultrasound was used in problem cases only). SPSS version 23 was used for analysis and simple descriptive statistics, χ2 test, multivariate regression analysis, and Fisher exact test were performed as appropriate. P values less than 0.05 and odds ratio with 95% CI were used to present the results' significance.

Results

A total of 242 second‐trimester D&E cases were analyzed (84 cases managed under routine intraoperative ultrasound guidance and 158 cases managed with a problem‐based intraoperative use of ultrasound). Compared with problem‐based intraoperative use of ultrasound (using it only in selected cases), routine intraoperative ultrasound use was not associated with a decrease in D&E complications (adjusted odds ratio [aOR] 0.22, 95% confidence interval [CI] 0.04–1.16). The two factors associated with increased D&E procedure complications were advanced gestational age (aOR 13.52, 95% CI 1.86–98.52), and need for additional mechanical cervical dilatation during the D&E procedure (aOR 9.53, 95% CI 1.32–69.07). Provider experience, cervical preparation methods (laminaria vs Foley), and maternal age were not associated with occurrence of D&E complications.

Conclusion

Our study does not support the preference of routine intraoperative ultrasound guidance over problem‐based (in selected cases) intraoperative ultrasound use during the second‐trimester D&E procedure. More research is needed to make a strong clinical recommendation on using routine intraoperative ultrasound guidance during all second‐trimester D&E procedures.
The relationship between emotional intelligence and optimism: A meta‐analysis
Authors: Glassie Sarah L. , Schutte Nicola S.
Published: January 2024

Optimism involves the general expectation good things will occur and greater optimism is associated with a number of positive life outcomes related to better mental and physical health. These outcomes include reduced likelihood of depression, more effective immune functioning and lower mortality. Emotional intelligence, which consists of adaptive emotional functioning, may be a foundation for optimism. This meta‐analysis examined the relationship between emotional intelligence and optimism across 6889 participants from 25 independent samples. Across studies, a higher level of emotional intelligence was associated with greater optimism with a weighted effect size of, r = .35, p < .001. Measurement approach and country of participants moderated the effect size. These results have relevance for the design of positive psychology interventions.
End‐to‐end light‐weighted deep‐learning model for abnormality classification in kidney CT images
Authors: Karthikeyan V. , Kishore M. Navin , Sajin S.
Published: January 2024

Kidney disease is a major health problem that affects millions of people around the world. Human kidney problems can be diagnosed with the help of computed tomography (CT), which creates cross‐sectional slices of the organ. A deep end‐to‐end convolutional neural network (CNN) model is proposed to help radiologists detect and characterize kidney problems in CT scans of patients. This has the potential to improve diagnostic accuracy and efficiency, which in turn benefits patient care. Our strategy involves teaching a suggested deep end‐to‐end CNN to distinguish between healthy and diseased kidneys. The recommended CNN is trained using a standard CT image library that has been annotated to show kidney stones, cysts, and tumors. The model can then be used to detect kidney abnormalities in fresh CT scans, which may enhance the effectiveness and speed with which diagnoses are made. A total of 1812 pictures were used, each one a unique cross‐sectional CT scan of the patient. Our model has a detection rate of 99.17% in CT scan validation tests. We employed a different dataset with a total of 5077 normal samples, 3709 cyst samples, 1377 stone samples, and 2283 tumor samples. In tests, our model proved to be 99.68% accurate. The suggested framework has been validated by applying it to the clinical dataset, resulting in 99% accuracy in predictions. As low‐cost and portable CT scanners become more commonplace, the described concept may soon be employed outside of a hospital environment, at the point of treatment, or even in the patient's own home.
Forecasting GDP in Europe with textual data
Authors: Barbaglia Luca , Consoli Sergio , Manzan Sebastiano
Published: January 2024

We evaluate the informational content of news‐based sentiment indicators for forecasting gross domestic product (GDP) and other macroeconomic variables of the five major European economies. Our dataset includes over 27 million articles for 26 major newspapers in five different languages. The evidence indicates that these sentiment indicators are significant predictors to forecast macroeconomic variables and their predictive content is robust to controlling for other indicators available to forecasters in real time.
On the sensitivity of computed partial charges toward basis set and (exchange‐)correlation treatment
Authors: Mehta Nisha , Martin Jan M. L.
Published: January 2024

Partial charges are a central concept in general chemistry and chemical biology, yet dozens of different computational definitions exist. In prior work [Cho et al., ChemPhysChem 21, 688‐696 (2020)], we showed that these can be reduced to at most three ‘principal components of ionicity’. The present study addressed the dependence of computed partial charges on 1‐particle basis set and (for WFT methods) ‐particle correlation treatment or (for DFT methods) exchange‐correlation functional, for several representative partial charge definitions such as QTAIM, Hirshfeld, Hirshfeld‐I, HLY (electrostatic), NPA, and GAPT. Our findings show that semi‐empirical double hybrids can closely approach the CCSD(T) ‘gold standard’ for this property. In fact, owing to an error compensation in MP2, CCSD partial charges are further away from CCSD(T) than is MP2. The nonlocal correlation is important, especially when there is a substantial amount of nonlocal exchange. Employing range separation proves to be “mostly" not advantageous, while global hybrids perform optimally for 20%–30% Hartree‐Fock exchange across all charge types. Basis set convergence analysis shows that an augmented triple‐zeta heavy‐aug‐cc‐pV(T+d)Z basis set or a partially augmented jun‐cc‐pV(T+d)Z basis set is sufficient for Hirshfeld, Hirshfeld‐I, HLY, and GAPT charges. In contrast, QTAIM and NPA display slower basis set convergence. It is noteworthy that for both NPA and QTAIM, HF exhibits markedly slower basis set convergence than the correlation components of MP2 and CCSD. Triples corrections in CCSD(T), denoted as CCSD(T)‐CCSD, exhibit even faster basis set convergence.
Assessing management practices for variants of uncertain significance among genetic counselors in pediatrics
Authors: Cheung Chloe , Berger Sara M. , Ross Meredith , Kramer Tamar , Li Yuhuan , Andrews Carli , Dergham Katia R. , Spitz Elana , Florido Michelle E. , Ahimaz Priyanka
Published: January 2024

Increased utilization of genomic sequencing in pediatric medicine has increased the detection of variants of uncertain significance (VUS). Periodic VUS reinterpretation can clarify clinical significance and increase diagnostic yield, highlighting the importance of systematic VUS tracking and reinterpretation. There are currently no standardized guidelines or established best practices for VUS management, and our understanding of how genetic counselors (GCs) track and manage VUS results for pediatric patients is limited. In this exploratory study, GCs in pediatric clinics in North America were surveyed about their VUS management practices. A total of 124 responses were included in the analysis. The majority (n = 115, 92.7%) of GCs reported that VUS management workflows were at the discretion of each individual provider in their workplace. Approximately half (n = 65, 52%) kept track of patient VUS results over time, and GCs with lower patient volumes were more likely to do so (p = 0.04). While 95% (n = 114) of GCs had requested VUS reinterpretation at least once, only 5% (n = 6) requested it routinely. Most (n = 80, 86%) GCs notified patients when a VUS was reclassified, although methods of recontact differed when the reclassification was an upgrade versus a downgrade. GCs who asked patients to stay in touch through periodic recontact or follow‐up appointments were more likely to request VUS reinterpretation (p = 0.01). The most frequently reported barriers to requesting reinterpretation regularly were patients being lost to follow‐up (n = 39, 33.1%), insufficient bandwidth (n = 27, 22.9%), and lack of standardized guidelines (n = 25, 21.2%). GCs had consistent overall practices around VUS management around investigation, disclosure, reinterpretation, and recontact, but specific methods used differed and were at the discretion of each provider. These results showcase the current landscape of VUS management workflows in pediatrics and the challenges associated with adopting more uniform practices. The study findings can help inform future strategies to develop standardized guidelines surrounding VUS management.