bluuebunny/crossref_metadata_2025_split huggingface dataset:
Hydrophilic Cocrystals with Water Switched Luminescence
Authors: Gao Lei , Baryshnikov Glib V. , Ali Amjad , Kuklin Artem , Qian Cheng , Zhang Xianrui , Chen Fengkun , Yi Tao , Wu Hongwei 
Published: January 2024

AbstractUtilizing water molecules to regulate the luminescence properties of solid materials is highly challenging. Herein, we develop a strategy to produce water‐triggered luminescence‐switching cocrystals by coassembling hydrophilic donors with electron‐deficient acceptors, where 1,2,4,5‐Tetracyanobenzene (TCNB) was used as the electron acceptor and pyridyl benzimidazole derivatives were used as the electron donors enabling multiple hydrogen‐bonds. Two cocrystals, namely 2PYTC and 4PYTC were obtained and showed heat‐activated emission, and such emission could be quenched or weakened by adding water molecules. The cocrystal structure exhibited the donor molecule that can form multiple hydro bonds with water and acceptor molecules due to the many nitrogen atoms of them. The analyses of the photophysical data, powder X‐ray diffraction, and other data confirmed the reversible fluorescence “on‐off” effects were caused by eliminating and adding water molecules in the crystal lattice. The density functional theory calculations indicate that the vibration of the O‐H bond of water molecules in the cocrystal can absorb the excitation energy and suppress fluorescence. Furthermore, the obtained cocrystals also showed temperature, humidity, and H+/NH4+ responsive emission behavior, which allows their applications as thermal and humidity sensors, and multiple information encryptions. This research paves the way for preparing intelligent hydrophilic organic cocrystal luminescent materials.
Synthesis, Photophysical Properties and Self‐Assembly of a Tetraphenylethylene‐Naphthalene Diimide Donor‐Acceptor Molecule
Authors: Bhusanur Dnyaneshwar I. , More Kerba S. , Al Kobaisi Mohammad , Singh Prabhat K. , Bhosale Sidhanath V. , Bhosale Sheshanath V. 
Published: January 2024

AbstractThe development of new π‐conjugated molecular structures with controlled self‐assembly and distinct photophysical properties is crucial for advancing applications in optoelectronics and biomaterials. This study introduces the synthesis and detailed self‐assembly analysis of tetraphenylethylene (TPE) functionalized naphthalene diimide (NDI), a novel donor‐acceptor molecular structure referred to as TPE‐NDI. The investigation specifically focuses on elucidating the self‐assembly behavior of TPE‐NDI in mixed solvents of varying polarities, namely chloroform: methylcyclohexane (CHCl3: MCH) and chloroform: methanol (CHCl3: MeOH). Employing a several analytical methodologies, including UV‐Vis absorption and fluorescence emission spectroscopy, scanning electron microscopy (SEM), X‐ray diffraction (XRD), and dynamic light scattering (DLS), these self‐assembled systems have been comprehensively examined. The results reveal that TPE‐NDI manifests as distinct particles in CHCl3: MCH (fMCH=90 %), while transitioning to flower‐like assemblies in CHCl3: MeOH (fMeOH=90 %). This finding underscores the critical role of solvent polarity in dictating the morphological characteristics of TPE‐NDI self‐assembled aggregates. Furthermore, the study proposes a molecular packing mechanism, based on SEM data, offering significant insights into the design and development of functional supramolecular systems. Such advancements in understanding the molecular self‐assembly new π‐conjugated molecular structures are anticipated to pave the way for novel applications in material science and nanotechnology.
Optimal maintenance policy for imperfect production systems using reliability function and defect rate
Authors: Ho Jyh‐Wen , Huang Yeu‐Shiang , Huang Peng‐Tsi 
Published: January 2024

AbstractThis study examines how a manufacturer can improve the robustness of an imperfect production system by implementing maintenance activities, which can be measured in terms of system reliability and product failure rate. A two‐dimensional maintenance policy comprising system reliability and the product defect rate is proposed to assess maintenance activity costs. The optimal thresholds of the two dimensions are analyzed to investigate the trade‐off between cost and system quality. A numerical example is provided to verify the proposed model's effectiveness. The results showed that the less stable the system, the greater the total costs incurred; therefore, lower stringent thresholds may be set to prevent frequent maintenance. Moreover, a sensitivity analysis is performed to investigate the essential parameters that significantly affect maintenance decisions. The results showed that the thresholds of the reliability function and defect rate significantly impact total costs. Any inaccurate assessment of system usage could lead to incorrect estimations and a substantial increase in cost.
Selection and Characterization of DNA Aptamers for Cytidine and Uridine
Authors: Gu Lide , Zheng Jiajie , Zhang Yao , Wang Deli , Liu Juewen 
Published: January 2024

AbstractCytidine and uridine are two essential pyrimidine ribonucleotides, and accurate detection of these nucleosides holds significant biological importance. While many aptamers were reported to bind purines, little success was achieved for pyrimidine binding. This study employs the library‐immobilization capture‐SELEX technique to isolate aptamers capable of selectively binding to cytidine and uridine. First, a selection was performed using a mixture of cytidine and uridine as the target. This selection led to the isolation of a highly selective aptamer for cytidine with a dissociation constant (Kd) of 0.9 μM as determined by isothermal titration calorimetry (ITC). In addition, a dual‐recognition aptamer was also discovered, which exhibited selective binding to both cytidine and uridine. Subsequently, a separate selection was carried out using uridine as the sole target, and the resulting uridine aptamer displayed a Kd of 4 μM based on a thioflavin T fluorescence assay and a Kd of 102 μM based on ITC. These aptamers do not have a strict requirement of metal ions for binding, and they showed excellent selectivity since no binding was observed with their nucleobases or nucleotides. This study has resulted three aptamers for pyrimidines, which can be employed in biosensors and DNA switches.
Knockdown of fat mass and obesity alleviates the ferroptosis in Parkinson's disease through m6A‐NRF2‐dependent manner
Authors: Pang Pengfei , Zhang Shirong , Fan Xinxin , Zhang Shitao 
Published: January 2024

AbstractEmerging evidence has suggested that N6‐methyladenosine (m6A) regulates the pathology of Parkinson's disease (PD). Nevertheless, the function of demethylase fat mass and obesity (FTO) associated pathogenesis is still not fully elucidated. Here, this research findings revealed that m6A‐modification was decreased in PD models, meanwhile, the FTO level upregulated in the PD models. Functionally, in N‐methyl‐4‐phenylpyridinium (MPP+) treated SH‐SY5Y cells, the ferroptosis significantly upregulated and FTO silencing mitigated the ferroptosis phenotype. Moreover, in silico assays indicated that nuclear factor erythroid 2‐related factor‐2 (NRF2) acted as the target of FTO, and FTO demethylated the m6A modification from NRF2 mRNA. Furthermore, FTO impaired the NRF2 mRNA stability via m6A‐dependent pathway. Thus, our findings illustrated an important role of FTO on PD through m6A‐NRF2‐ferroptosis manner. Taken together, the study revealed the potential function of FTO on PD nervous system diseases.
Cavernous hemangioma of corpus imitating endometrial polyp in a young non‐pregnant woman: A case report study
Authors: Emami Ali , Bahadoran Ensiyeh , SamieeRad Fatemeh 
Published: January 2024

Key Clinical MessageCavernous hemangiomas are rare and have various non‐specific clinical presentations, such as menorrhagia. It can mimic different diseases such as endometrial polyps. Pathologists and gynecologists should be aware of performing histopathological examinations of this neoplasm for accurate diagnosis and to avoid unwarranted therapeutic interventions.AbstractInternal genital tract hemangiomas are rare and can be divided into capillary and cavernous. We present a rare case of cavernous hemangioma (CH) of the corpus in a young, non‐pregnant woman. The patient was a 28‐year‐old woman who had complained of menorrhagia for 2.5 years. Sonography showed a hypoechoic intramural area measuring 35 × 23 mm. Histomorphology revealed neoplastic proliferation of dilated thin‐walled arteries of various sizes within the myometrium. Due to the variable clinical presentations of CH, histopathological examination should be performed for an accurate diagnosis. It is a rare entity and we recommend training pathologists and gynecologists on this neoplasm for accurate diagnosis and to avoid unwarranted therapeutic interventions.
Palmar papules as a manifestation of cutaneous oxalosis in primary hyperoxaluria: A case report and review of the literature
Authors: Alabdullah Hadi , Soqia Jameel , Douri Thaer 
Published: January 2024

Key Clinical MessageCutaneous oxalosis is a rare manifestation of systemic oxalosis, typically associated with primary or secondary hyperoxaluria. We present a rare case of a 23‐year‐old female diagnosed with primary hyperoxaluria and end‐stage renal disease, who presented with papules on the palms without any vascular complications. The skin can be affected by oxalate deposition, resulting in various manifestations such as vascular complications or calcified nodules. In our case, the patient had primary hyperoxaluria and end‐stage renal disease but exhibited atypical features of cutaneous oxalosis. Histopathology confirmed the presence of oxalate crystals in the dermis, subcutis, and medium‐sized arteries. The mechanism of oxalate deposition in this case remains unclear. This case underscores the importance of considering cutaneous oxalosis in the differential diagnosis of patients with renal failure and skin lesions, and highlights the variability of clinical presentations in primary hyperoxaluria.
Trimetallic PdRhPt Porous Nanooctahedra as Highly Active and Cost‐Effective Electrocatalysts for Ethanol Electrooxidation
Authors: Qian Hehe , Su Yuetan , Mi Ji , Guo Yongsheng , Yang Kun , Fang Wenjun , Weng Xiaole 
Published: January 2024

AbstractThe development of highly active and cost‐effective electrocatalysts for the ethanol oxidation reaction (EOR) is imperative for the prospective application of direct ethanol fuel cells (DEFCs). In this study, we successfully synthesized porous octahedral nanoarchitectures comprising Pd, Rh, and Pt, through a straightforward one‐step co‐reduction aided by additional Ag precursors and other surface capping agents. The in‐situ galvanic replacement played a pivotal role in shaping hollow structures within the prepared PdRhPt porous octahedra, designated as PdRhPt‐POct. By strategically employing both composition and structure engineering, PdRhPt‐POct exhibited remarkably enhanced activity and stability toward EOR. Specifically, the mass activity of PdRhPt‐POct, reaching 8.11 A mg−1Pd+Pt, surpassed that of the majority of state‐of‐the‐art EOR electrocatalysts, owing to increased efficiency in C−C bond breaking and enhanced anti‐poisoning properties. This work introduces new prospects for designing and producing unique hollow‐structured multi‐metal nanocrystals as high‐performance EOR catalysts.
Deciphering Nitroaromatics Reduction: Theoretical Insights into Dioxomolybdenum Catalysis with Biomass‐Derived Pinacol
Authors: Kiriakidi Sofia , Silva López Carlos , Sanz Roberto , Faza Olalla Nieto 
Published: January 2024

AbstractDensity Functional Theory is used to unravel the mechanism of the nitrobenzene to aniline reduction, catalyzed by dioxomolybdenum (VI) dichloride. The use of pinacol as an oxoaccepting reagent and the production of only acetone and water as byproducts, signals a novel and environmentally friendly way to add value to the oxygen‐rich biomass‐derived polyols. The reaction proceeds through three consecutive cycles, each one responsible for one of the three reductive steps needed to yield aniline from nitrobenzene, with nitrosobenzene and hydroxylamine as intermediates. Each cycle regenerates the catalyst and releases one water and two acetone molecules. The mechanism involves singlet/triplet state crossings, a crucial feature in polyoxomolibdate catalyzed processes. The role of the Mo‐coordinated water as the provider of the mysterious protons needed to reduce the nitro group, was revealed. The disclosure of this challenging mechanism and its rate limiting step can contribute to the design of more effective Mo(VI) catalysts.
Conformational Preferences at the Glycosidic Linkage of Saccharides in Solution as Deduced from NMR Experiments and MD Simulations: Comparison to Crystal Structures
Authors: Dorst Kevin M. , Widmalm Göran 
Published: January 2024

AbstractGlycans are central to information content and regulation in biological systems. These carbohydrate molecules are active either as oligo‐ or polysaccharides, often in the form of glycoconjugates. The monosaccharide entities are joined by glycosidic linkages and stereochemical arrangements are of utmost importance in determining conformation and flexibility of saccharides. The conformational preferences and population distributions at the glycosidic torsion angles φ and ψ have been investigated for O‐methyl glycosides of three disaccharides where the substitution takes place at a secondary alcohol, viz., in α‐l‐Fucp‐(1→3)‐β‐d‐Glcp‐OMe, α‐l‐Fucp‐(1→3)‐α‐d‐Galp‐OMe and α‐d‐Glcp‐(1→4)‐α‐d‐Galp‐OMe, corresponding to disaccharide structural elements present in bacterial polysaccharides. Stereochemical differences at or adjacent to the glycosidic linkage were explored by solution state NMR spectroscopy using one‐dimensional 1H,1H‐NOESY NMR experiments to obtain transglycosidic proton‐proton distances and one‐ and two‐dimensional heteronuclear NMR experiments to obtain 3JCH transglycosidic coupling constants related to torsion angles φ and ψ. Computed effective proton‐proton distances from molecular dynamics (MD) simulations showed excellent agreement to experimentally derived distances for the α‐(1→3)‐linked disaccharides and revealed that for the bimodal distribution at the ψ torsion angle for the α‐(1→4)‐linked disaccharide experiment and simulation were at variance with each other, calling for further force field developments. The MD simulations disclosed a highly intricate inter‐residue hydrogen bonding pattern for the α‐(1→4)‐linked disaccharide, including a nonconventional hydrogen bond between H5′ in the glucosyl residue and O3 in the galactosyl residue, supported by a large downfield 1H NMR chemical shift displacement compared to α‐d‐Glcp‐OMe. Comparison of population distributions of the glycosidic torsion angles φ and ψ in the disaccharide entities to those of corresponding crystal structures highlighted the potential importance of solvation on the preferred conformation.
Synthesis of the Reducing‐end Hexasaccharide Fragment of Marine Lipopolysaccharide Axinelloside A
Authors: Zhang Haoliang , Zeng Changgen , Zhu Qian , Zhu Dapeng , Yu Biao 
Published: January 2024

AbstractChemical synthesis of an orthogonally protected hexasaccharide relevant to the reducing‐end half of axinelloside A, a highly sulfated marine lipopolysaccharide, is disclosed. The synthesis features preparation of the scyllo‐inositol unit via a Ferrier‐type‐II rearrangement, construction of the 1,2‐cis‐glycosidic bonds via remote participation, and concise [2+2+2] assembly via Au(I)‐catalyzed glycosylation.
Colorectal cancer screening at age 45 years in Israel: Cost‐effectiveness and global implications
Authors: Half Elizabeth E. , Levi Zohar , Mannalithara Ajitha , Leshno Moshe , Ben‐Aharon Irit , Abu‐Freha Naim , Silverman Barbara , Ladabaum Uri 
Published: January 2024

AbstractBackgroundColorectal cancer (CRC) incidence at ages <50 years is increasing worldwide. Screening initiation was lowered to 45 years in the United States. The cost‐effectiveness of initiating CRC screening at 45 years in Israel was assessed with the aim of informing national policy and addressing internationally relevant questions.MethodsA validated CRC screening model was calibrated to Israeli data and examined annual fecal immunochemical testing (FIT) or colonoscopy every 10 years from 45 to 74 years (FIT45‐74 or Colo45‐74) versus from 50 to 74 years (FIT50‐74 or Colo50‐74). The addition of a fourth colonoscopy at 75 years was explored, subanalyses were performed by sex/ethnicity, and resource demands were estimated.ResultsFIT50‐74 and Colo50‐74 reduced CRC incidence by 57% and 70% and mortality by 70% and 77%, respectively, versus no screening, with greater absolute impact in Jews/Other versus Arabs but comparable relative impact. FIT45‐74 further reduced CRC incidence and mortality by an absolute 3% and 2%, respectively. With Colo45‐74 versus Colo50‐74, CRC cases and deaths increased slightly as three colonoscopies per lifetime shifted to 5 years earlier but mean quality‐adjusted life‐years gained (QALYGs) per person increased. FIT45‐74 and Colo45‐74 cost 23,800–53,900 new Israeli shekels (NIS)/QALYG and 110,600–162,700 NIS/QALYG, with the lowest and highest values among Jewish/Other men and Arab women, respectively. A fourth lifetime colonoscopy cost 48,700 NIS/QALYG. Lowering FIT initiation to 45 years with modest participation required 19,300 additional colonoscopies in the first 3 years.ConclusionsBeginning CRC screening at 45 years in Israel is projected to yield modest clinical benefits at acceptable costs per QALYG. Despite different estimates by sex/ethnicity, a uniform national policy is favored. These findings can inform Israeli guidelines and serve as a case study internationally.
Phase 2 trial of tremelimumab in patients with metastatic urothelial cancer previously treated with programmed death 1/programmed death ligand 1 blockade
Authors: Miller Eric J. , Rose Tracy L. , Maughan Benjamin L. , Milowsky Matthew I. , Bilen Mehmet A. , Carthon Bradley C. , Gao Xin , Rapisuwon Suthee , Zhao Qianqian , Yu Menggang , Agarwal Neeraj , Galsky Matthew D. 
Published: January 2024

AbstractIntroductionProgrammed death 1 (PD‐1)/programmed death ligand 1 (PD‐L1) blockade has changed the landscape of treatment for metastatic urothelial cancer, but single‐agent cytotoxic T‐lymphocyte–associated protein 4 (CTLA‐4) blockade in metastatic urothelial cancer has been underexplored. A prior phase 2 trial of tremelimumab in PD‐1/PD‐L1–blockade naive patients with metastatic urothelial cancer revealed activity comparable to that observed with PD‐1/PD‐L1 blockade raising the hypothesis that these classes of immune checkpoint inhibitors might be non‐cross‐resistant.MethodsThe current phase 2 trial treated patients with PD‐1/PD‐L1 blockade‐resistant metastatic urothelial cancer with single‐agent tremelimumab (750 mg intravenously every 28 days for up to 7 cycles). The primary end point was objective response rate.ResultsTwenty‐six patients were enrolled and 24 patients were evaluable for response. The objective response rate was 8.3%, composed of a total of two partial responses that lasted 10.9 and 24.0 months. Stable disease was observed in another 20.8% of patients, with a median duration of stable disease of 5.4 months. Diarrhea occurred in 15 patients (58%), elevated hepatic transaminases occurred in seven patients (27%), and adrenal insufficiency occurred in two patients (8%); one patient died after experiencing immune‐related hepatitis.ConclusionsHigh dose CTLA‐4 blockade in patients with PD‐1/PD‐L1–resistant metastatic urothelial cancer has modest activity and is associated with treatment‐related toxicity similar to prior reports.
A Novel Rhodamine‐Phenolphthalein Architecture for Selective Mercury Ion Detection in Aqueous Media
Authors: Hussein Abdullah Saleh , Lafzi Ferruh , Bayindir Sinan , Kilic Haydar , Toprak Mahmut 
Published: January 2024

AbstractIn this study, the primary objective is to synthesize a novel fluorescent Rh‐PP‐Rh compound and explore its extensive range of photochemical behaviors. Initially, the synthesis of the novel Rh‐PP‐Rh was carried out for this purpose. Subsequently, UV‐Vis and fluorescence spectroscopy were employed to investigate the interactions between Rh‐PP‐Rh and a diverse array of ions in aqueous solvent systems. Through fluorescence and UV‐Vis studies, it was observed that Rh‐PP‐Rh demonstrated turn‐on sensor properties in the presence of Hg2+ ions. Furthermore, the limits of detection (LOD) and association constant (Ka) values for Rh‐PP‐Rh/Hg2+ were determined as 334 nM and 9.13×1011 M−2, respectively. Additionally, the reversible studies demonstrated a switchable on/off response upon alternate addition of HgCl2 and [Bu4N]F to Rh‐PP‐Rh. These findings suggest that the probe Rh‐PP‐Rh also possesses specific sensor properties for F− ions in the presence of mercury. In addition, the investigation encompassed an assessment of the visual analysis of the color alterations of Rh‐PP‐Rh both on filter paper and in an EtOH/H2O solution. The findings demonstrated that Rh‐PP‐Rh can be successfully utilized in solutions containing mercury, as it generates significant color transformations.
Challenges in Developing Perovskite Nanocrystals for Commercial Applications
Authors: Zhang Xiaoyu , Huang Qianqian , Yin Wenxu , Zheng Weitao 
Published: January 2024

AbstractZero‐dimensional lead halide perovskite nanocrystals (NCs) exhibit size‐dependent bandgap and carrier confinement compared to bulk counterparts due to the quantum confinement effect, making them essential for achieving wide‐color‐gamut displays, studying excitonic spin relaxation, and constructing superlattices. Despite their promising potential, they face a variety of technical bottlenecks, such as insufficient color reproducibility, limited large‐scale production, low stability, and toxicity. An outline of a research roadmap is provided in the review, which highlights key challenges in developing perovskite NCs for commercial applications.
Maternal oxytocin treatment at birth increases epigenetic age in male offspring
Authors: Danoff Joshua S. , Carter C. Sue , Gordevičius Juozas , Milčiūtė Milda , Brooke Robert T. , Connelly Jessica J. , Perkeybile Allison M. 
Published: January 2024

AbstractExogenous oxytocin is widely used to induce or augment labor with little understanding of the impact on offspring development. In rodent models, including the prairie vole (Microtus ochrogaster), it has been shown that oxytocin administered to mothers can affect the nervous system of the offspring with long‐lasting behavioral effects especially on sociality. Here, we examined the hypothesis that perinatal oxytocin exposure could have epigenetic and transcriptomic consequences. Prairie voles were exposed to exogenous oxytocin, through injections given to the mother just prior to birth, and were studied at the time of weaning. The outcome of this study revealed increased epigenetic age in oxytocin‐exposed animals compared to the saline‐exposed group. Oxytocin exposure led to 900 differentially methylated CpG sites (annotated to 589 genes), and two CpG sites (two genes) remained significantly different after correction for multiple comparisons. Differentially methylated CpG sites were enriched in genes known to be involved in regulation of gene expression and neurodevelopment. Using RNA‐sequencing, we also found 217 nominally differentially expressed genes (p < .05) in nucleus accumbens, a brain region involved in reward circuitry and social behavior; after corrections for multiple comparisons, six genes remained significantly differentially expressed. Finally, we found that maternal oxytocin administration led to widespread alternative splicing in the nucleus accumbens. These results indicate that oxytocin exposure during birth may have long‐lasting epigenetic consequences. A need for further investigation of how oxytocin administration impacts development and behavior throughout the life span is supported by these outcomes.