bluuebunny/crossref_metadata_2025_split huggingface dataset:
Opening the Cabinets: A Critical Evaluation of Skeletal Teaching Collections in the United States
Authors: Gruenthal‐Rankin Ariel , Somogyi Tessa 
Published: January 2025

ABSTRACTThe collections of human remains within our university laboratories and classrooms are considered by many to be integral to teaching osteology. However, as an outgrowth of the Western scientific tradition of mind/body dualism, human remains within skeletal teaching collections are often regarded differently than those in museums or applied contexts. From processing to storage, the personhood of each individual becomes abstracted as we purchase, “inherit,” handle, organize, and digitally scan their bones for teaching purposes. In this way, skeletons within teaching collections are ontologically transformed from people to objects. The objectification of human bodies is rooted in Enlightenment era scientific practices that are directly connected to colonialism and white supremacy. Here, we argue that the anonymization of the skeletons of people in academic institutions, and the maintenance of non‐consent‐based skeletal collections, perpetuates structural violence on the deceased and their descendant communities. We critically examine the origins and ethics of non‐consent‐based anatomical teaching collections and discuss the violence within these assemblages. Finally, we develop practical steps toward a more humanistic and ethical osteological classroom and pedagogy. Suggested strategies include ceasing the use of skeletal individuals for whom consent is unknown or non‐existent and instead using only skeletal or replica skeletal materials from those who have donated or willed their bodies and engaging with critical pedagogical perspectives to challenge norms in our field.
2,3 : 6,7‐Naphthalenediimide‐Based Chiral Triangular Macrocycle: Self‐Assembled Helix, Outer π‐Surface Directed Co‐Assembly and Circularly Polarized Luminescence
Authors: Wu Shengfu , Song Xin , Lu Jie , Hao Wenchao , Liu Minghua 
Published: January 2025

AbstractHere, we report the synthesis and self‐assembly of a novel chiral 2,3 : 6,7‐naphthalenediimide‐based triangular macrocycle (NDI‐Δ) and its chiroptical properties. The enantiomeric NDI‐Δ is synthesized by condensation of (RR) or (SS)‐trans‐1,2‐cyclohexanediamine and 2,3,6,7‐naphthalenetetracarboxylic 2,3 : 6,7‐dianhydride, in which the chirality of the macrocycles is controlled by the diamine. With the rigid outer π‐surface, the macrocycle exhibits unique chiroptical properties and self‐assembly modes. The NDI‐Δ shows circularly polarized luminescence (CPL) in solution and can self‐assemble into helical structures with the inversion of CPL signal and the enhancement of |glum|. Moreover, the NDI‐Δ has a tailored electron‐deficient outer π‐surface, which can co‐assemble with an electron‐rich anthracene (AN) to form an intermolecular charge transfer (CT) complex, generating a yellow‐green CT‐CPL. Crystal structure analysis confirms that AN is mounted on the outer surface of NDI‐Δ through π‐π stacking and C−H
π interactions. This work provides a critical example for the self‐assembly of macrocycles into helical structures and outer π‐surface directed CT complexes formation, opening up a new clue for designing chiral macrocycle‐based chiroptical materials.
From Guest‐Induced Crystallization to Molecular Imprinting: Calculation‐Guided Discovery of Hydrogen‐Bonded Tetrazole Frameworks for p‐Xylene Separation
Authors: Su Yi , Gao Qiang , Ding Xiaojun , Ye Gang 
Published: January 2025

AbstractExploring host–guest interactions to regulate hydrogen‐bonding assembly offers a promising approach for developing advanced porous crystal materials (PCMs). However, screening compatible guests with appropriate geometries and host–guest interactions that could inhibit the dense packing of building blocks remains a primary challenge. This study presents a novel guest‐induced crystallization (GIC) strategy, guided by thermodynamic calculations, to develop porous hydrogen‐bonded organic frameworks (HOFs) using structurally challenging tetrazole building units. Thermodynamic principles are established from the crystal structure data and the density functional theory calculation of the formation energy (ΔE). This provides criteria to identify available guests in GIC, enabling the successful discovery of a hidden HOF that is kinetically challenging to crystallize. Furthermore, the potential application for p‐xylene (PX) separation is predicted by analyzing the ΔE of guest‐induced HOFs. A high PX selectivity (PX/m‐xylene=6.1, PX/o‐xylene=7.2, and PX/ethylbenzene=4.1) is achieved through selective inclusion of PX from C8 aromatic isomers within the guest‐induced HOFs. Significantly, the guest‐free HOF (HOF‐PX‐a), bearing PX‐templated cavities derived from molecular imprinting, shows a record‐high PX/ethylbenzene selectivity (21.7) in liquid adsorption. This work elucidates the underpinning self‐assembly rules of GIC for HOF construction, providing exciting new opportunities for the predictable assembly of PCMs for molecular recognition and target‐specific separations.
Scrolled Poly(L‐Lactic Acid) Single Crystals via Chain End‐Induced Symmetry‐Breaking
Authors: Yu Shichen , Kim Seyong , Ojima Kingsley O. , Zhao Bin , Li Christopher Y. 
Published: January 2025

AbstractSingle crystals that do not obey translational symmetry have been reported in various material systems. In polymers, twisted crystals are typically formed in banded spherulites, while a class of non‐flat polymer single crystals (PSCs) has been observed. Herein, we report the formation of scrolled single crystals of biodegradable polymer poly(L‐lactic acid) (PLLA). While classical 2‐dimensional single crystals formed in solution‐crystallized PLLA are flat, we show that PLLA crystals bend into scrolls when the polymer molecular weight is low. The formation of these unique scrolled PLLA single crystals depends on polymer chain ends and the polymer molecular weight. This work, therefore, demonstrates a new mechanism to break translational symmetry in PSC growth.
Spectroscopic, Structural Analysis, Molecular Orbital, Molecular Docking, and Antibacterial Activity of the Thiocarbohydrazone Ligand and Its Complexes
Authors: Gomha Sobhi M. , Saleh Mahmoud G. A. , El‐Sayed Wael A. , Alsehaibani Hamad Abdullah H. , Abd El Salam Hayam A. , El‐Samahy Fatma A. , Mohamed Gehad G. , Zayed Ehab M. 
Published: January 2025

ABSTRACTNew thiocarbohydrazone ligand (N′‐((E)‐3,3‐diphenyl‐2,3‐dihydro‐1H‐inden‐1‐ylidene)‐2‐((Z)‐2‐oxoindolin‐3‐ylidene)hydrazine‐1‐carbothiohydrazide; H2L) and its Co (II), Ni (II), Fe (III), Cu (II), Cd (II), Zn (II), and Mn (II) complexes were prepared in good yields ranging from 60% to 90% and characterized by spectroscopic and analytical tools. Uv–vis, magnetic measurements, molar conductivity, 1H‐NMR spectra, elemental analyses, and FT‐IR were performed. The structural formula for the examined ligand was improved using the Gaussian09 tool. The morphology of the thiocarbohydrazone ligand and metal complexes was demonstrated using a scanning electron microscope. The prepared thiocarbohydrazone ligand and its complexes were evaluated for their antimicrobial properties against Streptococcus mutans and Staphylococcus aureus as G‐positive bacteria; Escherichia coli, Klebsiella pneumoniae, and Pseudomonas aeruginosa as G‐negative bacteria; and some species of fungi as Aspergillus niger and Candida albicans. It was found that thiocarbohydrazone ligand was less biologically active than the targeted complexes as indicated from the obtained inhibition zone diameters. The interaction between the ligand and the amino acids of the proteins of G‐positive bacteria (Staphylococcus typhus‐3ty7), G‐negative bacteria (E. coli‐3t88), and fungi (C. albicans‐5k04) as receptors was investigated using molecular docking study to correlate the experimental and theoretical observations.
Synthesis, Characterization, and Catalytic Properties of Regioisomeric β‐Ketoimine Titanium Complexes for Ethylene Polymerization
Authors: Huang Pingzhou , Tang Wanjun , Xue Mengyuan , Zhou Ming , Tu Wei , Li Tingcheng , Xie Guangyong 
Published: January 2025

ABSTRACTNon‐metallocene catalysts have shown great potential for modulating the polymer microstructure by changing the ligand structure, but the effects of ligand structure and electronic property of metal center on their catalytic performance remain underexplored. Herein, we designed and synthesized two pairs of isomeric tridentate β‐ketoimine complexes TiLa/TiLb and TiLc/TiLd with methylthioaniline and methylthioethylamine side arms, respectively, which exhibited moderate to extremely high activity over 106 g (mol Ti)−1· h−1·atm−1 for the polymerization of ethylene and the copolymerization of ethylene with α‐olefins (1‐hexene, 1‐octene) and polar comonomer (9‐decen‐1‐ol) in the presence of MAO, with the catalytic activities in the order: TiLd > TiLc > TiLa > TiLb. The regioisomers TiLc and TiLd with methylthioethylamine side arm showed significantly higher activity for ethylene (co)polymerization than that of the isomeric TiLa and TiLb with methylthioaniline side arm, especially for ethylene copolymerization with α‐olefins or polar comonomer 9‐decen‐1‐ol, indicating an obvious positive “comonomer effect”. The complex TiLd exhibited the highest ethylene (co)polymerization activity and comonomer insertion rate. Structural optimization using density functional theory (DFT) calculations suggested that the “side arms” and the electronic properties of titanium in β‐ketoimine titanium complexes played a key role for ethylene polymerization and copolymerization.
Glycals as Chiral Synthons in Organic Synthesis of Privileged Molecular Scaffolds
Authors: Yadav Yogesh , Sagar Ram 
Published: January 2025

AbstractChirality is a vital characteristic of molecules and crucial for biological functioning. Glycals are unsaturated chiral sugars that contain an enolic double bond within the ring structure and they introduce the chirality in the molecular scaffolds. Since their discovery and synthesis by Fischer and Zach in 1913, they have been used as a flexible chiral synthon for synthesising natural products and biologically significant molecules. An important area of study in organic synthesis involves functionalizing glycals, with particular emphasis on creating novel molecular scaffolds with a common backbone using various topologies. This review discusses recent advancements in synthesizing chiral molecules, emphasizing the innovative use of glycals as chiral synthons, and covers literature from 2020 to the present.
Chemical Composition, Antimicrobial, and Enzyme Inhibitory Properties of Elaeagnus angustifolia L.
Authors: Zor Melek , Sağlamtaş Rüya , Demirci Abdullah , Ceyran Ertuğrul , Fettahoğlu Kübra , Demir Yeliz 
Published: January 2025

ABSTRACTResearch on natural antioxidants derived from plants has surged due to their potential health benefits. In the current study, the chemical composition, enzyme inhibitory activity, and antimicrobial effects of the Elaeagnus angustifolia L. plant, including leaves, flowers, and flower stalk (FS) extracts, were analyzed. A total of 28 compounds were identified across the different plant parts, with 24 in flowers (F), 9 in FSs, and 14 in leaves (L). The antimicrobial activity of the extracts was evaluated using the disk diffusion method against two Gram‐positive (Staphylococcus aureus and Bacillus cereus) and two Gram‐negative bacteria (Escherichia coli and Klebsiella pneumoniae). The minimum inhibitory concentration (MIC) was determined as 3.13–12.50 mg/mL. The measured zone diameters were also in the range of 5–8 mm. The results indicated that the methanol extracts exhibited significant antimicrobial properties. Additionally, the extracts demonstrated strong inhibition of cholinesterases (acetylcholinesterase [AChE]: 11.14 ± 0.11–18.11 ± 0.12 µg/mL; butyrylcholinesterase [BChE]: 32.54 ± 0.55–44.61 ± 0.17 µg/mL) and moderate inhibition against α‐glycosidase and tyrosinase enzymes. Moreover, the molecular docking interaction of trans‐ferulic, shikimic, and vanillic acids, the most abundant phenolic compounds in the extracts, with AChE, BChE, α‐glycosidase, and tyrosinase, was assessed using AutoDock Vina software. E. angustifolia L. possesses a high phenolic content and exhibits significant antioxidant and enzyme inhibitory capabilities, which may contribute to its extensive utilization in food and traditional medicine.
Synthesis and Anticancer Studies of Pt(II) Complex Derived From 4‐Phenylthiosemicarbazone
Authors: Gai Shuangshuang , Meng Lili , Qin Yiming , Jiang Ming 
Published: January 2025

ABSTRACTAlthough cisplatin is widely used as a first‐line chemotherapy agent, it has significant side effects. Herein, we synthesized a Pt(II) complex (Pt1) derived from o‐vanillin‐4‐phenylthiosemicarbazone ligand and confirmed its crystal structure by x‐ray crystallography. Complex Pt1 exhibited potent anticancer activity against various tested cancer cell lines, with particular efficacy against HepG‐2 cells. Further investigations revealed that Pt1 inhibited the growth of HepG‐2 cells through multiple mechanisms, including the generation of excessive reactive oxygen species (ROS), induction of DNA damage, enhancement of mitochondrial membrane permeability, promotion of apoptosis, and activation of autophagic cell death.
Strategies to Enhance the Therapeutic Efficacy of GLP‐1 Receptor Agonists through Structural Modification and Carrier Delivery
Authors: Zhang Tingting , Liu Sainan , He Suning , Shi Linqi , Ma Rujiang 
Published: January 2025

AbstractDiabetes is a metabolic disorder characterized by insufficient endogenous insulin production or impaired sensitivity to insulin. In recent years, a class of incretin‐based hypoglycemic drugs, glucagon‐like peptide‐1 receptor agonists (GLP‐1RAs), have attracted great attention in the management of type 2 diabetes mellitus (T2DM) due to their benefits, including stable glycemic control ability, a low risk of hypoglycemia, and weight reduction for patients. However, like other peptide drugs, GLP‐1RAs face challenges such as instability, susceptibility to enzymatic degradation, and immunogenicity, which severely limit their clinical application. In recent years, various strategies have been developed to improve the bioavailability and therapeutic efficacy of GLP‐1RAs, including structural modification and carrier‐mediated delivery. This article briefly introduces the research and application status of several common GLP‐1RAs and their limitations. Taking exendin‐4 as an example, we focus on the research progress of improving bioavailability and therapeutic efficacy based on structural modification and carrier delivery strategies, aiming to provide reference for the development of new GLP‐1RAs treatment systems.
Pneumatosis Intestinalis and Concurrent Focal Diaphragmatic Pneumatosis Cystoides Presenting With Pneumoperitoneum in a 20 Year‐Old Male: A Case Report
Authors: Fasih Manal , Colucci Patricia , Monday Kara 
Published: January 2025

ABSTRACTPneumatosis cystoides intestinalis can present with concurrent diaphragmatic cysts, a previously undocumented phenomenon. Surgical management may be required, but further investigation is needed to understand the pathogenesis and optimize management in atypical and chronic cases, such as this case with a history of corrected intestinal malrotation.
Crystallographic characterization of Ag‐doping in nanocrystallite hydroxyapatite and evaluation of photocatalytic activity of organic pollutants
Authors: Sahadat Hossain Md. , Sarkar Shifa , Ahmed Samina 
Published: January 2025

AbstractPure and different percentages (0.25, 0.5, 1.0, and 2.5%) of silver (Ag) doped hydroxyapatites (Hap) were synthesized employing the wet chemical precipitation method. The samples were characterized with the aid of X‐ray diffraction (phase analysis, crystallographic characterization, and crystal size calculation using Scherrer equation and different models), scanning electron microscopy, and optical bandgap energy. The Hap containing 0.25% Ag showed better photocatalytic activity in various dye concentrations, catalyst doses, and pH. At a very low catalyst dose (0.375 g/L) and 20 ppm pollutant concentration, reaction rate, and rate constant were evaluated for the Congo Red dye, ciprofloxacin, amoxicillin, and levofloxacin. The maximum rate constant (0.0028 min−1) and reaction rate (9.657 × 10−8 mole L−1·min−1) were found for Congo Red dye and ciprofloxacin, respectively, using 0.25_Ag‐Hap (0.25% Ag‐doped Hap). The energies of the valance band (3.14 eV) and conduction band (−0.36 eV) were lower in the case of 0.25_Ag‐Hap than the other samples. Simplified reaction mechanisms were proposed for the photocatalytic degradation of Congo Red dye, ciprofloxacin, amoxicillin, and levofloxacin.
Red mud incorporated clay roof tiles as visible light‐active photocatalysts for building applications
Authors: Özdemir Erdem Tevfik , Yavaş Ahmet , Güler Saadet , Erol Mustafa 
Published: January 2025

AbstractThis study aims to enhance the self‐cleaning properties of clay roof tiles by incorporating red mud as an industrial waste. This approach contributes to a sustainable environment by upcycling waste and developing an improved building material. Various analyses were conducted to compare the physical, structural, morphological, elemental, and optical properties of clay tiles with varying amounts of red mud. The characterization results indicated that the addition of red mud to clay roof tiles resulted in homogeneous and uniform tiles with enhanced physical properties. The red mud‐mixed clay roof tiles exhibited photocatalytic activity for the oxidation of methylene blue dye. Notably, while adding more than 5% red mud improved the physical properties, the optimal photocatalytic activity was observed in clay roof tiles with a 5% red mud addition. This study underscores the dual benefits of this approach: improving the functional properties of clay roof tiles and promoting the valorization of industrial waste.
Reversed Allylation of 3‐Alkenyl Indoles Using Allyl Boronic Acids: Access to Tryptamine Based Alkaloids
Authors: Ghosh Minakshi , Saha Shuvendu , Sudan Maji Modhu 
Published: January 2025

AbstractAll‐carbon quaternary and tertiary stereocenters connected at the C2‐position of functionalizable C3‐alkylated indole nucleus are commonly occurring frameworks found in many indole alkaloids of medicinal importance. Their direct access is scarcely reported, a long‐standing problem, and developing a unique yet simple method can pave the pathway to an entirely different retrosynthetic route for the total synthesis of these alkaloids. Herein, this problem is addressed by developing an unprecedented branch‐selective allylation strategy employing a broad range of structurally and electronically different 3‐alkenyl‐indoles and allylboronic acids. The use of readily accessible starting precursors renders this method attractive for the total synthesis of indole alkaloids. The present strategy shows excellent functional group tolerance, atom economic, redox‐neutral, scalable and easy to operate. The DFT calculation on the possible transition states indicated that allylboronic acid acts as a nucleophile rather than a more reactive boroxine. Mechanistically, this strategy is designed by exploiting the loss as well as regaining the indole's aromaticity. The utility of this method is demonstrated in the total syntheses of seven prenylated tryptamine alkaloids and the first total syntheses of dimeric indole alkaloids, fluevirine E and mucronatin B.
Is There an Association Between Living in a Rural Area and the Incidence of Postoperative Complications or Hospital Readmissions Following Left Ventricular Assist Device (LVAD) Implantation, Compared to Urban Lvad Recipients? A Systematic Review
Authors: Gollapudi Samrat , Gollapudi Abhiram , Banala Sri , Singh Sheraj , Tadi Kiran 
Published: January 2025

ABSTRACTBackgroundLeft ventricular assist devices (LVADs) are utilized as a therapeutic option for patients with end‐stage heart failure. While LVAD implantation can enhance survival rates and quality of life, the procedure has its risks, and postoperative complications are common. This review aims to investigate whether there is an association between living in a rural area and the incidence of postoperative complications or hospital readmissions following LVAD implantation, compared to urban LVAD recipients.MethodsA comprehensive literature review examined studies that compared postoperative outcomes between rural and urban LVAD recipients. Data on adverse events, hospitalizations, and mortality rates were extracted, focusing on the impact of geographic location on these outcomes.ResultsThe review found that rural LVAD recipients may be at a higher risk for certain complications, including gastrointestinal bleeding, ventricular arrhythmias, LVAD complications, and stroke. Rural patients also exhibited higher instances of emergency department visits and hospital readmissions. Despite these challenges, survival rates and heart transplantation outcomes at 1 year were similar between rural and urban recipients. However, rural patients exhibited a higher driveline infection rate at 1 year.ConclusionThe findings of this review suggest that rural residency may be associated with an increased risk of certain postoperative complications and hospital readmissions following LVAD implantation. These results highlight the need for healthcare strategies to address the challenges faced by rural LVAD recipients. Further research is necessary to understand the relationship between geographic location and LVAD outcomes and to develop interventions that can improve postoperative care for this vulnerable population.
Imatinib dose reduction after major molecular response in chronic‐phase chronic myeloid leukemia
Authors: Li Zongru , Zhang Xiaoshuai , Zhao Yijing , Lu Linping , Guo Yong , Gale Robert Peter , Qin Yazhen , Jiang Qian 
Published: January 2025

AbstractBackgroundIn people with chronic‐phase chronic myeloid leukemia (CML) receiving imatinib and achieving major molecular response (MMR), dose reduction may decrease adverse events but may be associated with a loss of molecular response. Whether digital droplet polymerase chain reaction (ddPCR) can identify persons in whom dose reduction might be unsuccessful is unknown.MethodsData from 716 consecutive subjects who achieved MMR after initial imatinib therapy (400 mg/day) were obtained. A total of 486 subjects remained on full‐dose imatinib, whereas 230 subjects had their dose reduced to 300 or 200 mg/day. The outcomes of these cohorts were compared via landmark and propensity score matching analyses.ResultsImatinib dose reduction showed no significant effect on the subsequent achievement of deeper molecular responses (4‐ and 4.5‐log reductions in BCR::ABL1 transcripts; MR4 and MR4.5), maintenance of MMR, or attainment of therapy‐free remission when compared with subjects without dose reduction. In subjects achieving MR4, however, the probability of maintaining MR4 (p = .002) was lower in the reduced‐dose group. In multivariable analyses, failure to achieve MR4.5 as determined by ddPCR at the time of dose reduction was significantly associated with briefer MMR failure‐free survival (FFS; hazard ratio [HR], 10.3; 95% confidence interval [CI], 1.3–82.9; p = .03) and MR4 FFS (HR, 6.8; 95% CI, 2.6–18.0; p < .001).ConclusionsImatinib dose reduction after achieving MMR does not adversely affect response deepening or MMR maintenance in chronic‐phase CML but compromises MR4 maintenance. The results of ddPCR may identify people who benefit from imatinib dose reduction.