bluuebunny/crossref_metadata_2025_split huggingface dataset:
On the thermodynamics of aggregation toward phosphorescent metallomesogens: From electronic tuning to supramolecular design
Authors: Gutierrez Suburu Matias E. , Blanke Meik , Geerkens Leon , Hepp Alexander , Maisuls Iván , Kösters Jutta , Neumann Thorben , Voskuhl Jens , Giese Michael , Strassert Cristian A. 
Published: January 2024

AbstractTwo series with three Pt(II) complexes each (PtLPh‐n, PtLFpy‐n) bearing asymmetric tetradentate ligands as dianionic luminophores with variable alkyl chain lengths were synthesized. Hence, each ligand series is distinguished by one of its cyclometallating rings (phenyl vs. 2,6‐difluoropyrid‐3‐yl). Steady‐state and time‐resolved photoluminescence spectroscopic studies in diluted solutions at room temperature and in glassy matrices at 77 K show that the emissive state is mainly centered on the invariantly electron‐rich cyclometalated side while the second ring regulates the admixture of ligand‐centered and metal‐to‐ligand charge‐transfer character. Hence, the radiative rates can be controlled, as indicated by quantum‐mechanical calculations, which also explain the temperature‐dependent trend in the phosphorescence rate constants. Studies in condensed phases (single‐crystal X‐ray diffractometry, polarized optical microscopy, differential scanning calorimetry, steady‐state and time‐resolved photoluminescence micro(spectro)scopy) showed the development of a smectic A mesophase for the fluorinated species bearing the two longest alkyl chains. Nuclear magnetic resonance‐based studies on the thermodynamics of aggregation in solution confirm the marked enthalpic stabilization of aggregates mediated by the polar 2,6‐difluoropyrid‐3‐yl moiety (and to a lesser extent by dispersive forces between the alkyl chains). On the other hand, the negative entropy of aggregation is dominated by the restriction of degrees of freedom involving the peripheral alkyl moieties upon stacking, which becomes increasingly relevant for longer chains. All these factors control Pt···Pt coupling, a crucial interaction for the design of photofunctional mesogens based on Pt(II) complexes.
Hydroxyurea is associated with later onset of acute splenic sequestration crisis in sickle cell disease: Lessons from the European Sickle Cell Disease Cohort—Hydroxyurea (ESCORT‐HU) study
Authors: Allali Slimane , Galactéros Frédéric , Oevermann Lena , Cannas Giovanna , Joseph Laure , Loko Gylna , Elenga Narcisse , Benkerrou Malika , Etienne‐Julan Maryse , Castex Marie‐Pierre , Brousse Valentine , de Montalembert Mariane 
Published: January 2024

AbstractAcute splenic sequestration crisis (ASSC) is a potentially life‐threatening complication of sickle cell disease (SCD), typically occurring in young patients under 5 years of age, with a median age at first episode of less than 2 years. Because a beneficial effect of hydroxyurea (HU) on spleen perfusion and splenic function has been suspected, we hypothesized that HU treatment might be associated with later onset of ASSC in patients with SCD. To investigate this hypothesis, we analyzed data from the ESCORT‐HU study on a large cohort of patients with SCD receiving HU, enrolled between January 2009 and June 2017 with a follow‐up of 7309 patient‐years of observation. The median age at ASSC of the 14 patients who experienced a first episode of ASSC during the study period was 8.0 [IQR: 5.0–24.1] years. The median age at HU initiation was significantly lower in these 14 patients (4.8 [IQR: 3.3–18.7] years) compared to the 1664 patients without ASSC (19.9 [8.8–33.4] years, p = .0008). These findings suggest that ASSC may occur at an unusually late age in patients receiving HU, possibly reflecting longer preservation of spleen perfusion and function secondary to early initiation of HU. Further studies are needed to better characterize the effects of HU on spleen perfusion/function and on the occurrence of ASSC in patients with SCD (ClinicalTrials.gov identifier: NCT02516579; European registry ENCEPP/SDPP/10565).
Metal‐organic Frameworks in Semiconductor Devices
Authors: Parashar Ranjeev Kumar , Jash Priyajit , Zharnikov Michael , Mondal Prakash Chandra 
Published: January 2024

AbstractMetal‐organic frameworks (MOFs) are a specific class of hybrid, crystalline, nano‐porous materials made of metal‐ion‐based ‘nodes’ and organic linkers. Most of the studies on MOFs largely focused on porosity, chemical and structural diversity, gas sorption, sensing, drug delivery, catalysis, and separation applications. In contrast, much less reports paid attention to understanding and tuning the electrical properties of MOFs. Poor electrical conductivity of MOFs (~10−7–10−10 S cm−1), reported in earlier studies, impeded their applications in electronics, optoelectronics, and renewable energy storage. To overcome this drawback, the MOF community has adopted several intriguing strategies for electronic applications. The present review focuses on creatively designed bulk MOFs and surface‐anchored MOFs (SURMOFs) with different metal nodes (from transition metals to lanthanides), ligand functionalities, and doping entities, allowing tuning and enhancement of electrical conductivity. Diverse platforms for MOFs‐based electronic device fabrications, conductivity measurements, and underlying charge transport mechanisms are also addressed. Overall, the review highlights the pros and cons of MOFs‐based electronics (MOFtronics), followed by an analysis of the future directions of research, including optimization of the MOF compositions, heterostructures, electrical contacts, device stacking, and further relevant options which can be of interest for MOF researchers and result in improved devices performance.
A Triply Linked Porphyrin‐Norcorrole Hybrid with Singlet Diradical Character
Authors: Wang Kaisheng , Ito Satoru , Ren Shuang , Shimizu Daiki , Fukui Norihito , Kishi Ryohei , Liu Qiang , Osuka Atsuhiro , Song Jianxin , Shinokubo Hiroshi 
Published: January 2024

AbstractNorcorrole Ni(II) complexes have recently received considerable attention because they are readily accessible antiaromatic molecules. Their high stability under ambient conditions and ease of synthesis have enabled the exploration of the intrinsic properties of antiaromatic molecules. Here, we report the synthesis and properties of meso–meso singly linked porphyrin‐norcorrole hybrids and a triply linked porphyrin‐norcorrole hybrid. The singly linked and triply linked porphyrin‐norcorrole hybrids were fully characterized, including an X‐ray structural analysis. Due to their orthogonal conformation, the singly linked hybrids maintain the individual electronic properties of their porphyrin and norcorrole subunits, while the triply linked hybrid shows a significantly smaller electrochemical HOMO–LUMO gap (0.45 eV) than that of Ni(II) dimesitylnorcorrole (1.08 eV). Furthermore, the triply linked hybrid exhibits singlet diradical characteristics, as confirmed by VT NMR, ESR, and SQUID experiments.
Chemically Transformed Ag2Te Nanowires on Polyvinylidene Fluoride Membrane For Flexible Thermoelectric Applications
Authors: Kashyap Ankit , Rawat Divya , Sarkar Debattam , Singh Niraj Kumar , Biswas Kanishka , Soni Ajay 
Published: January 2024

AbstractFlexible thermoelectric devices of nanomaterials have shown a great potential for applications in wearable to remotely located electronics with desired shapes and geometries. Continuous powering up the low power flexible electronics is a major challenge. We are reporting a flexible thermoelectric module prepared from silver telluride (Ag2Te) nanowires (NWs), which are chemically transformed from uniquely synthesized and scalable tellurium (Te) NWs. Conducting Ag2Te NWs composites have shown an ultralow total thermal conductivity ~0.22 W/mK surpassing the bulk melt‐grown Ag2Te ~1.23 W/mK at ~300 K, which is attributed to the nanostructuring of the material. Flexible thermoelectric device consisting of 4 legs (n‐type) of Ag2Te NWs on polyvinylidene fluoride membrane displays a significant output voltage (Voc) ~2.3 mV upon human touch and Voc ~18 mV at temperature gradient, ΔT ~50 K, which shows the importance of NWs based flexible thermoelectric devices to power up the low power wearable electronics.
Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development
Authors: Tang Guanghui , Wang Wei , Zhu Chengjun , Huang Huisi , Chen Peng , Wang Xuan , Xu Manyi , Sun Jie , Zhang Chong‐Jing , Xiao Qicai , Gao Liqian , Zhang Zhi‐Min , Yao Shao Q. 
Published: January 2024

AbstractAdvances in targeted covalent inhibitors (TCIs) have been made by using lysine‐reactive chemistries. Few aminophiles possessing balanced reactivity/stability for the development of cell‐active TCIs are however available. We report herein lysine‐reactive activity‐based probes (ABPs; 2–14) based on the chemistry of aryl fluorosulfates (ArOSO2F) capable of global reactivity profiling of the catalytic lysine in human kinome from mammalian cells. We concurrently developed reversible covalent ABPs (15/16) by installing salicylaldehydes (SA) onto a promiscuous kinase‐binding scaffold. The stability and amine reactivity of these probes exhibited a broad range of tunability. X‐ray crystallography and mass spectrometry (MS) confirmed the successful covalent engagement between ArOSO2F on 9 and the catalytic lysine of SRC kinase. Chemoproteomic studies enabled the profiling of >300 endogenous kinases, thus providing a global landscape of ligandable catalytic lysines of the kinome. By further introducing these aminophiles into VX‐680 (a noncovalent inhibitor of AURKA kinase), we generated novel lysine‐reactive TCIs that exhibited excellent in vitro potency and reasonable cellular activities with prolonged residence time. Our work serves as a general guide for the development of lysine‐reactive ArOSO2F‐based TCIs.
Efficient separation and recovery of Co and Ni from ammonium sulfate roasting‐water leaching solutions of oceanic cobalt‐rich crusts by sulfide precipitation and P507–Cyanex 272 synergistic extraction
Authors: Ju Jinrong , Feng Yali , Li Haoran , Xue Zhonghua , Yang Jun , Du Xingquan 
Published: January 2024

AbstractOceanic cobalt‐rich crusts contain many valuable metals including Co, Ni, Cu, and Mn, of which Co and Ni are scarce metal resources on terrestrial land. Co, Ni, Cu, and Mn in cobalt‐rich crusts can be efficiently extracted by the ammonium sulfate roasting‐water leaching (ARWL) process, but separating and recovering Co and Ni from the leaching solution containing high concentrations of Mn is a challenging problem. In this study, a combination of sulfide precipitation and P507–Cyanex 272 synergistic extraction is proposed for the separation and recovery of Co and Ni from the ARWL solutions of oceanic cobalt‐rich crusts. Under the optimum sulfide precipitation conditions, Co and Ni were precipitated with 99.85% and 99.63% efficiency, respectively, while Mn was coprecipitated with only .79% efficiency. The Co–Ni mixed sulfides were dissolved by dilute sulfuric acid under oxidative conditions to obtain a solution containing 12.584 g/L Co, 11.012 g/L Ni, and a small amount of Mn. Subsequently, Co and Mn were extracted from this solution using P507–Cyanex 272 synergistic extraction, the single‐stage extraction efficiencies of Co and Mn were 95.76% and 99.73%, respectively, and the coextraction efficiency of Ni was 3.02%, under the conditions of a feed solution pH of 3.0, an extractant saponification degree of 70%, a total extractant concentration of 20% (P507 to Cyanex 272 ratio of 3:7), and an O/A ratio of 1.1:1. The results of the thermodynamic study showed that the reaction of Co extraction by this mixed extraction system was exothermic. Ni in the organic phase was washed with an H2SO4 concentration of .12 mol/L, followed by stripping of Co and Mn with an H2SO4 concentration of .6 mol/L. Mn in the stripping solution was removed by oxidative precipitation with (NH4)2S2O8, after which the Co3O4 product was obtained by precipitation with (NH4)2C2O4 and calcination. Similarly, NiC2O4·2H2O can be obtained from the raffinate by (NH4)2C2O4 precipitation. Finally, a flowsheet was developed for the separation and recovery of Co, Ni, Cu, and Mn from the ARWL solutions of oceanic cobalt‐rich crusts. The study provides a promising scheme for the recovery of various valuable metals from deep‐sea cobalt‐rich crusts or manganese nodules.
Poly‐γ‐glutamic acid overproduction of Bacillus licheniformis ATCC 9945a by developing a novel optimum culture medium and glutamate pulse feeding using different experimental design approaches
Authors: Ebrahimzadeh Kouchesfahani Mehrdad , Bahrami Ali , Babaeipour Valiollah 
Published: January 2024

AbstractThe commercial production of multifunctional, biocompatible, and biodegradable biopolymers such as poly‐γ‐glutamic acid via microbial fermentation requires the development of simple and cheap methods for mass production. This study optimized the poly‐γ‐glutamic acid production of Bacillus licheniformis ATCC 9945a in several steps. At first, the most critical components of the culture medium, including l‐glutamic acid, citric acid, and glycerol, were selected by screening nine factors through the Plackett–Burman experimental design and then were optimized using the response surface method and the central composite design algorithm. Under optimal conditions, the production of poly‐γ‐glutamic acid increased by more than 4.2 times from 11.2 to 47.2 g/L. This is one of the highest production rates of this strain in submerged batch fermentation reported so far using the optimized medium compared to the conventional base medium. A novel and efficient sudden pulse feeding strategy (achieved by a novel one‐factorial statistical technique) of l‐glutamic acid to the optimized medium increased biopolymer production from 47.2 to 66.1 g/L, the highest value reported in published literature with this strain. This simple, reproducible, and cheap fermentation process can considerably enhance the commercial applications of the poly‐γ‐glutamic acid synthesized by B. licheniformis ATCC 9945a.
Synthesis, photophysical properties, anticancer evaluation, and molecular docking studies of new pyrimidine linked 4‐arylidene‐thiazolidin‐4‐ones as potent anticancer agents
Authors: Jame Rasha 
Published: January 2024

AbstractThe reaction of 4‐(chloroacetamido)pyrimidine (1) with ammonium thiocyanate gave 2‐(pyrimidin‐4‐ylimino)thiazolidin‐4‐one (2), which, when condensed with four substituted benzaldehyde analogues, gave the consequent 5‐arylidine‐2‐(pyrimidin‐4‐ylimino)thiazolidin‐4‐ones 3a–d. In addition, the absorbance and fluorescence behaviours of pyrimidinylimino‐thiazolidin‐4‐one hybrids 3a–d in various organic solvents were investigated. The emphasis was on studying UV absorption capacities and the effect of various structural components on photophysical qualities such as the 5‐arylidene‐2‐(pyrimidin‐4‐ylimino)thiazolidin‐4‐ones and N,N‐dimethylamino tail. The cytotoxic effect of four pyrimidinylimino‐thiazolidin‐4‐one hybrids 3a–d on tumour cell lines (HepG2, HCT‐116, PC3, MCF‐7) and a normal cell line (WI38) is investigated in this work. The cytotoxicity was measured by comparing the half‐maximal inhibitory concentration (IC50) to the reference medication, 5‐fluorouracil. The findings indicate that these hybrid compounds had varying cytotoxic effects on the cell lines examined; hybrids 3b and 3c demonstrated significant anticancer activity against MCF‐7 with IC50 values of 7.53 ± 0.43 and 9.17 ± 0.31 μM, respectively. The inhibitory efficacy of various synthesized hybrids on the epidermal growth factor receptor (EGFR) kinase was investigated. EGFR is a crucial target in cancer treatment because inhibiting it may reduce tumour development and proliferation. The IC50 value was used to calculate the inhibitory activity, which is the concentration of inhibitor necessary to induce half‐maximal inhibition of EGFR kinase activity. In addition, the predicted ADME results show that pyrimidinylimino‐thiazolidin‐4‐one hybrids have good pharmacokinetic properties; hybrid 3d is more lipophilic than the other compounds. It has a medium molecular weight, a small number of hydrogen bond acceptors and donors, and a large number of aromatic heavy atoms. Moreover, molecular docking simulations revealed precise information on the interactions of pyrimidinylimino‐thiazolidin‐4‐one hybrids 3a–d and 5‐Fu with their respective protein targets. These interactions point to possible pathways for their biological activities and call for more testing to establish their effectiveness as bioactive molecules or therapeutic candidates.
Synthesis and evaluation of larvicidal efficacy against C. pipiens of some new heterocyclic compounds emanated from 2‐cyano‐N′‐(2‐(2,4‐dichlorophenoxy)acetyl)acetohydrazide
Authors: Ismail Mahmoud F. , El‐Sayed Amira A. , Hosni Eslam M. , Hassaballah Aya I. 
Published: January 2024

AbstractSeveral infectious diseases are transmitted and spread by mosquitoes, and millions of people die annually from them. The mosquito, Culex pipiens is a responsible for the emergence of various Virus in Egypt. So, we devote our work to evaluate the larvicidal efficacy against C. pipiens of some new heterocyclic compounds containing chlorine motifs. The implementation was emanated from using 2‐cyano‐N′‐(2‐(2,4‐dichlorophenoxy)acetyl)acetohydrazide (3) as scaffold to synthesize some new heterocyclic compounds. The structures of the synthesized compounds were interpreted scrupulously by spectroscopic and elemental analyses. Thereafter, the larvicidal activity against C. pipiens of thirteen synthesized compounds was estimated. Noteworthy, cyanoacetohydrazide derivative 3 and 3‐iminobenzochromene derivative 12 showed a fabulous potent efficacy with LC50 equal to 3.2 and 3.5 ppm against C. pipiens, respectively, and are worth being further evaluated in the field of pest control.
Denitrification Technology and The Catalysts: A Review and Recent Advances
Authors: Liu Yueli , Zhang Wenyuan , Chen Wen 
Published: January 2024

AbstractWith the acceleration of industrialization and the increasing prominence of environmental pollution problems, the emission of nitrogen oxides (NOx) in the atmosphere has become a global concern. These emissions are not only hazardous to human health, but also one of the main factors leading to acid rain, photochemical smog and global climate change. Therefore, the development and implementation of efficient denitrification technologies are an important issue for environmental protection. The present review focuses on the research progress of the denitrification technology in the recent years, including the traditional denitrification methods and common technologies. At the same time, the advantages, limitations and application prospects of each method are analyzed. The mechanisms, influencing factors, advantages and disadvantages of the denitrification catalysts are also discussed. In addition, the future research trends and potential challenges of denitrification technology are discussed. It is expected that this review will provide useful references for promoting the development and application of denitrification technology, which may help researchers to choose high‐performance and cost‐effective methods.
Unraveling the Impact of Curvature on Electrocatalytic Performance of Carbon Materials: A State‐of‐the‐Art Review
Authors: Wen Hui , Zhao Zhiyong , Luo Zhiming , Wang Congwei 
Published: January 2024

AbstractCurvature of carbon materials has gained significant attention as catalysts due to their distinctive properties and potential applications. This review comprehensively summarizes how the bending of carbon materials can improve electrocatalytic performance, with special attention to the applications of various bent carbon materials (such as carbon nanotubes, graphene, and fullerene) in electrocatalysts and a large number of related density functional theory (DFT) theoretical calculations. Extensive mechanism research has provided a wealth of evidence indicating that the curvature of carbon materials has a profound impact on catalytic activity. This improvement in catalytic performance by curved carbon materials is attributed to factors like a larger active surface area, modulation of electronic structure, and better dispersal of catalytic active sites. A comprehensive understanding and utilization of these effects enable the design of highly efficient carbon‐based catalysts for applications in energy conversion, environmental remediation, and chemical synthesis.
Mechanism and kinetics study on waste acid leaching from copper smelting dust
Authors: Cai Weisong , Yu Xiaohua , Lin Yan , Shen Qingfeng , Zhu Yiming , Dai Hongkun 
Published: January 2024

AbstractCopper smelters generate large amounts of copper smelting dust (CSD) that has a high recycling value because it contains about 20% copper. Waste acid can be used to leach CSD. Here, the effects of different temperatures, times and liquid–solid ratios on copper, iron and arsenic leaching rates were investigated. The optimal conditions were determined to be a temperature of 95°C, leaching time of 3 h, and liquid–solid ratio of 7:1. Under these condition, the leaching rate of copper reached 96.37%, and the copper ion concentration was 32.71 g/L. The leaching kinetics date revealed that the leaching of copper and iron was controlled by two different reaction models. The leaching of copper conformed to the Johnson–Mehl–Avrami (JMA) model and was diffusion controlled, and the reaction was rapid in the first 60 min. In contrast, leaching of iron was controlled by a chemical reaction. Copper and iron activation energies were 2.579 and 62.791 kJ/mol, respectively. These results show that CSD waste acid is can be used to dispose of arsenic‐containing hazardous waste in a green, sustainable, and ecologically method.
Aeromonas hydrophila orbital cellulitis as post cesarean sepsis—An unthinkable eye opener
Authors: Singh Anuradha , Aggarwal Kiran , Lal Prabha , Kumar Mansi , G. S. Triveni 
Published: January 2024

SynopsisPeripartum orbital cellulitis and pan ophthalmitis are rare complications. Here we report one such case and the need for aggressive management of postpartum infections especially post cesarean.
Obstetrical and neonatal outcomes in women with gestational Lyme disease
Authors: Courville Julien M. , Czuzoj‐Shulman Nicholas , Spence Andrea R. , Abenhaim Haim A. 
Published: January 2024

AbstractObjectiveThe incidence of Lyme disease (LD) infections has risen in recent decades. Gestational LD has been associated with adverse pregnancy outcomes; however, the results have been contradictory. The study objective was to examine the effects of gestational LD on obstetrical and neonatal outcomes.MethodsUsing the Healthcare Cost & Utilization Project National (Nationwide) Inpatient Sample from the United States, we conducted a retrospective cohort study of pregnant patients admitted to the hospital between 2016 and 2019. The exposed group consisted of pregnant patients with gestational LD infection (International Classification of Diseases, Tenth Revision [ICD‐10] code A692x), while the comparison group consisted of pregnant patients without gestational LD. Descriptive statistics and multivariate logistic regression models, adjusted for baseline maternal characteristics, were used to determine the associations between gestational LD and obstetrical and neonatal outcomes.ResultsThe cohort included 2 943 575 women, 226 of whom were diagnosed with LD during pregnancy. The incidence of LD was 7.67 per 100 000 pregnancy admissions. The incidence of gestational LD was stable over the study period. Pregnant patients with LD were more likely white, older, to have private health insurance, and to belong to a higher income quartile. Gestational LD was associated with an increased risk of placental abruption (adjusted odds ratio [aOR], 3.45 [95% confidence interval (CI), 1.53–7.80]) and preterm birth (aOR, 1.58 [95% CI, 1.03–2.42]).ConclusionGestational LD is associated with a higher risk of placental abruption and preterm birth. Pregnancies complicated by LD, while associated with a higher risk of certain adverse outcomes, can be followed in most healthcare settings.