bluuebunny/crossref_metadata_2025_split huggingface dataset:
Schiff base flexible organic crystals toward multifunctional applications
Authors: Ding Xue‐Hua , Wang Li‐Zhi , Chang Yong‐Zheng , Wei Chuan‐Xin , Lin Jin‐Yi , Ding Man‐Hua , Huang Wei 
Published: January 2024

AbstractThe emergence of flexible organic crystals changed the perception of molecular crystals that were regarded as brittle entities over a long period of time, and sparked a great interest in exploring mechanically compliant organic crystalline materials toward next‐generation smart materials during the past decade. Schiff base compounds are considered to be one of the most promising candidates for flexible organic crystals owing to their easy synthesis, high yield, stimuli responsiveness and good mechanical properties. This paper gives an overview of the recent development of Schiff base flexible organic crystals (including elastic organic crystals, plastic organic crystals, and flexible organic crystals integrating elasticity and plasticity) from serendipitous discovery to design strategies and versatile applications such as stimuli responses, optical waveguides, optoelectronic devices, biomimetic soft robots, and organic photonic integrated circuits. Notably, atomic force microscopy‐micromanipulation technique has been utilized to bring the multifunctional applications of flexible organic crystals from the macroscopic level to the microscopic world. Since understanding mechanical flexibility at the molecular level through crystal engineering can assist us to trace down the structural origin of mechanical properties, we focus on the packing structures of various Schiff base flexible organic crystals driven by non‐covalent intermolecular interactions and their close correlation with mechanical behaviors. We hope that the information given here will help in the design of novel flexible organic crystals combined with other unique properties, and promote further research into the area of mechanically compliant organic crystalline materials toward multifunctional applications.
Phase 2 study of epigenetic priming with decitabine followed by cytarabine for acute myeloid leukemia in older patients
Authors: Im Annie , Quann Kevin , Agha Mounzer , Raptis Anastasios , Redner Robert L. , Hou Jing‐Zhou , Farah Rafic , Dorritie Kathleen A. , Sehgal Alison R. , Normolle Daniel , Bovbjerg Dana H. , Aggarwal Nidhi , Herman James , Lontos Konstantinos , Boyiadzis Michael 
Published: January 2024

AbstractAcute myeloid leukemia (AML) in older patients has a poor prognosis, low complete remission (CR) rates, and poor overall survival (OS). Preclinical studies have shown synergistic effects of epigenetic priming with hypomethylating agents followed by cytarabine. Based on these data, we hypothesized that an induction regimen using epigenetic priming with decitabine, followed by cytarabine would be effective and safe in older patients with previously untreated AML. Here, we conducted a phase 2 trial in which older patients with previously untreated AML received an induction regimen consisting of 1 or 2 courses of decitabine 20 mg/m2 intravenously (IV) for 5 days followed by cytarabine 100 mg/m2 continuous IV infusion for 5 days. Forty‐four patients (median age 76 years) were enrolled, and CR/CRi was achieved by 26 patients (59% of all patients, 66.7% of evaluable patients). Fourteen of 21 (66.7%) patients with adverse cytogenetics achieved CR including six out of seven evaluable patients with TP53 mutations. The 4‐ and 8‐week mortality rates were 2.3% and 9.1%, respectively, with median OS of 10.7 months. These results suggest epigenetic priming with decitabine followed by cytarabine should be considered as an option for first‐line therapy in older patients with AML. This trial was registered at www.clinicaltrials.gov as # NCT01829503.
Copper‐Catalyzed Oxidative Trifluoromethylation of Aromatic Alkenes for the Synthesis of α‐Trifluoromethylated Ketones
Authors: Wang Jiali , Liu Hongjian , Qi Chaorong 
Published: January 2024

AbstractA copper‐catalyzed oxidative trifluoromethylation of aromatic alkenes has been developed successfully, providing access to a variety of valuable α‐trifluoromethyl‐substituted ketones using Togni's reagent as the trifluoromethyl source. The use of affordable copper catalyst and readily available alkenes as the feedstock, broad substrate scope, mild conditions, and operational simplicity are the attractive features of the method. Preliminary mechanistic studies revealed that both dimethyl sulfoxide (DMSO) and air might function as the oxidant for the transformation.
Multicharged Cyclodextrin‐Based Supramolecular Assemblies for Efficient Light‐Harvesting Energy Transfer
Authors: Liu Zhixue , Chen Haiqi , Sun Xinyao , Lu Jiayi , Wu Jiabin , Shang Yuna , Zhang Zhi‐Yuan , Li Chunju 
Published: January 2024

AbstractMulticharged macrocyclic supramolecular assemblies have been widely used in luminescent materials. Herein, we constructed multicharged assemblies based on tetraphenylethylene pyridinium derivatives (TPE‐4Py, TPE‐4Bz) and sulfobutylether‐β‐cyclodextrin (SBE‐βCD) through multivalent interactions. TPE‐4Py can be assembled with SBE‐βCD to form nanoparticles with 5.9‐fold fluorescence enhancement by electrostatic interactions and π‐π interactions, displaying an energy transfer efficiency of 7 % to Nile Red and an antenna effect value of 0.8. In contrast, TPE‐4Bz with four more benzyl groups exhibited superior assembly capacity with SBE‐βCD to form twisted nanosheets through additional hydrophobic interactions, resulting in enhancement of fluorescence intensity by 121 times. The TPE‐4Bz@SBE‐βCD can be served as a good light‐harvesting energy transfer platform to Nile Red with 84 % energy transfer efficiency and an antenna effect value of 17.2. This multicharged supramolecular assembly strategy provides an effective method for the construction of assembling‐confined luminescent materials with different topological morphology.
Coherent Control of the Dynamics of Quantum Fisher Information and Geometric Phase in a 1D Photonic Crystal Waveguide
Authors: Yousefi Negar Nikdel , Mortezapour Ali 
Published: January 2024

AbstractIt is aimed to study a hybrid quantum‐classical system in which a qubit as a quantum system coupled to a semi‐infinite 1D photonic crystal (PC) waveguide, and is controlled by a classical driving field. PC waveguides with engineering capability serve as engineered reservoirs where various manifestations of quantum mechanics can be studied. Here, the main purpose of the study is to evaluate the effect of coherent control on the dynamics of quantum Fisher information (QFI) and geometric phase (GP). It is revealed that the intensity (the Rabi frequency) of the classical field, memory time, and geometric length of the waveguide are key variables whose judicious choice aids in optimizing the estimation of the quantum parameters that are initially encoded in the qubit state. It is observed that the optical length of the waveguide and the Rabi frequency of the classical field have an interplay effect on the dynamic of the QFI and geometric phase. As an interesting finding, it is disclosed that as the Rabi frequency increases, the effect of the optical length of the waveguide fades away, and the Rabi frequency solely controls the geometric phase. Moreover, it is demonstrated that the estimation accuracy increases as the memory time decreases. On the other hand, lengthening the memory time lessens the dependency of the geometric phase on the length of the waveguide.
Correspondence on “A Mitochondrion‐Localized Two‐Photon Photosensitizer Generating Carbon Radicals Against Hypoxic Tumors”
Authors: Korth Hans‐Gert 
Published: January 2024

AbstractIt is shown that data presented in a paper by Chao and co‐workers do not support the formation of active “Carbon Radicals” as claimed according to the title. The assignments of observed ESR spectra and the mechanistic interpretation are severely flawed. Hence, other reactive intermediates must be responsible for the observed tumor‐damaging effects.
Transcytosis‐Based Renal Tubular Reabsorption of Luminescent Gold Nanoparticles for Enhanced Tumor Imaging
Authors: Huang Di , Tan Yue , Tang Jiahao , He Kui , Zhou Yuxuan , Liu Jinbin 
Published: January 2024

AbstractTranscytosis‐based tubular reabsorption of endogenous proteins is a well‐known energy‐saving pathway that prevents nutrient loss. However, utilization of this well‐known reabsorption pathway for the delivery of exogenous nanodrugs remains a challenge. In this study, using the surface mimic strategy of a specific PEPT1/2‐targeted Gly−Sar peptide as a ligand, renal‐clearable luminescent gold nanoparticles (P−AuNPs) were developed as protein mimics to investigate the transcytosis‐based tubular reabsorption of exogenous substances. By regulating the influential factors (H+ content in tubular lumens and PEPT1/2 transporter counts in tubular cells) of Gly−Sar‐mediated transcytosis, the specific and efficient interaction between P−AuNPs and renal tubular cells was demonstrated both in vitro and in vivo. Efficient transcellular transportation significantly guided the reabsorption of P−AuNPs back into the bloodstream, which enhanced the blood concentration and bioavailability of nanoparticles, contributing to high‐contrast tumor imaging.
Benzo‐fused Nitrogen Heterocycles by Asymmetric Ring Expansion and Stereochemically Retentive Re‐contraction of Cyclic Ureas
Authors: Mallick Rajendra K. , Žabka Matej , Clayden Jonathan 
Published: January 2024

AbstractBenzo‐fused nitrogen heterocycles are common features of bioactive molecules, and the enantioselective synthesis of their substituted analogues is an important goal. In this paper we demonstrate a practical and mechanistically intriguing approach to the enantioselective synthesis of 1‐arylbenzazepines and their analogues. The reaction sequence starts with an asymmetric migratory ring expansion of indoline, tetrahydroquinoline, or tetrahydrobenzazepine ureas on treatment with a chiral lithium amide base. Treatment of the ring‐expanded ureas with acid triggers a two‐atom ring contraction—an ‘azatropic shift’ in which one urea nitrogen displaces the other—with almost complete retention of stereochemistry. Aminolysis of the urea products provides enantioenriched 1‐aryl‐tetrahydrobenzazepine derivatives and their congeners, including an analogue of an intermediate in the synthesis of the drug solifenacin. Deuteration, in situ IR, and DFT studies provide evidence for the mechanisms of the reaction steps.
Unearthing Superior Inorganic UV Second‐Order Nonlinear Optical Materials: A Mineral‐Inspired Method Integrating First‐Principles High‐Throughput Screening and Crystal Engineering
Authors: Dong Xuehua , Huang Hongbo , Huang Ling , Zhou Yuqiao , Zhang Bingbing , Zeng Hongmei , Lin Zhien , Zou Guohong 
Published: January 2024

AbstractNatural minerals, with their adaptable framework structures exemplified by perovskite and lyonsite, have sparked substantial interest as potential templates for the design of advanced functional solid‐state materials. Nonetheless, the quest for new materials with desired properties remains a substantial challenge, primarily due to the scarcity of effective and practical synthetic approaches. In this study, we have harnessed a synergistic approach that seamlessly integrates first‐principles high‐throughput screening and crystal engineering to reinvigorate the often‐overlooked fresnoite mineral, Ba2TiOSi2O7. This innovative strategy has culminated in the successful synthesis of two superior inorganic UV nonlinear optical materials, namely Rb2TeOP2O7 and Rb2SbFP2O7. Notably, Rb2SbFP2O7 demonstrates a comprehensive enhancement in nonlinear optical performance, featuring a shortened UV absorption edge (260 nm) and a more robust second‐harmonic generation response (5.1×KDP). Particularly striking is its significantly increased birefringence (0.15@546 nm), which is approximately 30 times higher than the prototype Ba2TiOSi2O7 (0.005@546 nm). Our research has not only revitalized the potential of the fresnoite mineral for the development of new high‐performance UV nonlinear optical materials but has also provided a clearly defined roadmap for the efficient exploration of novel structure‐driven functional materials with targeted properties.
Bright spectroscopic binaries: III. Binary systems with orbital periods of P > 500 days
Authors: Jack Dennis , Hernández Huerta Missael Alejandro , Rosas‐Portilla Faiber Danilo , Schröder Klaus‐Peter 
Published: January 2024

AbstractWe present an analysis of nine bright spectroscopic binaries (HD 1585, HD 6613, HD 12390, HD 39923, HD 55201, HD 147430, HD 195543, HD 202699, HD 221643), which have orbital periods of  days. These well‐separated binaries are the last stars of our sample that we observed with the TIGRE telescope obtaining intermediate‐resolution spectra of . We applied the same method as described in our previous publication of this series. For the analysis of the radial velocity curves, we used the toolkit RadVel, which allowed us to determine all orbital parameters. Recently published orbital solutions of some systems from Gaia DR3 agree with our results. However, our solutions have much smaller uncertainties. We determined the basic stellar parameters of the primary stars with our automatic script using iSpec. The parameter determination allowed us to place all nine stars in the Hertzsprung–Russell diagram. We found that all stars have already evolved to the giant phase. A comparison with stellar evolution tracks of the Eggleton code was applied to determine the stellar masses and ages. As a result of our analysis, we were able to estimate the masses of the secondary stars and the orbital inclinations of the binary systems.
Mucoadhesive and antifouling Janus polysaccharide film for prevention of colorectal cancer recurrence post‐surgery
Authors: Lee Jaebeom , Seo Hee Seung , Park Chun Gwon , Shin Mikyung 
Published: January 2024

AbstractColorectal cancer is one of the most common cancers, and current treatment options include surgery, chemotherapy, and radiation therapy. Most patients undergo surgery, which often requires extensive resection of the colon to prevent recurrence and metastasis of residual malignant tumor cells, leading to postoperative pain and discomfort in daily routines. Although versatile therapeutic patches have been developed to induce tumor apoptosis, achieving both great adhesiveness on the mucus layers of the colon tissue and anti‐cell/tissue adhesion to other surrounding organs remains a challenge. Herein, we report a Janus polysaccharide film comprising two polymers: mussel‐inspired catechol‐conjugated chitosan (Chi‐C) with muco‐adhesiveness, and alginate (Alg) with anti‐adhesion property. The Chi‐C and Alg polymers form a stably entangled bilayer film via electrostatic interactions. The Janus film shows a strong tissue adhesive strength of ∼10 kPa for the Chi‐C layer and weak strength of ∼1 kPa for the Alg layer. Particularly, the Janus film encapsulating an anti‐cancer drug exhibits a directional release profile to the tumor site, which is effective for triggering tumor death in in vivo colorectal tumor resection model. Ultimately, such anti‐cancer material strategies using bilayered structures are promising for advanced tumor therapy.
Running women or women runners: Does identity salience affect intention to exercise outside and feelings of safety?
Authors: Skilton Lisa , McMahon Grace , Muldoon Orla T. 
Published: January 2024

AbstractSafety concerns for women are prevalent and influence their likelihood to exercise outside. While some women modify their exercise behaviour due to safety concerns, others exercise outside more freely. In this paper, two experiments are reported with women runners to examine whether making their identity as a runner or a woman salient changed their self‐reported likelihood of exercising outside, sense of safety and personal safety anxiety. While study 1 (n = 153) found no significant experimental effect, it revealed a trend: women whose runner identity was made salient were more likely to self‐report their willingness to exercise outside than those in the gender identity condition. Study 2 (n = 236) was conducted to examine this trend further. The second study employed a larger sample size and a more robust manipulation of social identity salience. A significant effect of the experimental condition on women's sense of safety was observed. Specifically, women in the runner identity salience condition had significantly greater feelings of safety than women in the gender identity salience condition. A similar trend emerged for self‐reported likelihood to exercise outside. These findings corroborate prior research on the impact of identity salience on intention to engage in health behaviours. They contribute to the existing body of literature on the intricate interplay between women's physical activity intentions and safety concerns. Furthermore, these findings could aid in the development of interventions to increase women's physical activity levels. Please refer to the Supplementary Material section to find this article's Community and Social Impact Statement.
Advancements in Single Atom Catalysts for Electrocatalytic Nitrate Reduction Reaction
Authors: Liu Lingyue , Zheng Shourong 
Published: January 2024

AbstractDue to the urgent demand for nitrate wastewater treatment, the quest for an efficient and environmentally friendly treatment method has emerged as a new research focus. The utilization of single‐atom catalysts (SACs) in electrocatalytic nitrate reduction reaction (NO3RR) for ammonia production is presently recognized as an effective strategy to address pollution issues and obtain high value‐added products. In this review, we summarized the recent research advancements in NO3RR based on SACs. This review includes a comprehensive analysis of the identification and structural determination techniques for SACs, as well as the mechanism of NO3RR over SACs. Furthermore, this review investigates the impact of regulating single atom structures on NO3RR, providing valuable insights for enhancing reaction efficiency. It explores the application of in‐situ technology in real‐time monitoring and control of NO3RR. Finally, perspectives and challenges regarding the application of SACs in NO3RR are presented. Overall, this extensive review offers valuable insights for researchers and industry professionals in the field of nitrate reduction and environmental catalysis.
Controlling the Activation at NiII−CO22− Moieties through Lewis Acid Interactions in the Second Coordination Sphere
Authors: Wolff Siad , Pelmenschikov Vladimir , Müller Robert , Ertegi Mervan , Cula Beatrice , Kaupp Martin , Limberg Christian 
Published: January 2024

AbstractNickel complexes with a two‐electron reduced CO2 ligand (CO22−, “carbonite”) are investigated with regard to the influence alkali metal (AM) ions have as Lewis acids on the activation of the CO2 entity. For this purpose complexes with NiII(CO2)AM (AM=Li, Na, K) moieties were accessed via deprotonation of nickel‐formate compounds with (AM)N(iPr)2. It was found that not only the nature of the AM ions in vicinity to CO2 affect the activation, but also the number and the ligation of a given AM. To this end the effects of added (AM)N(R)2, THF, open and closed polyethers as well as cryptands were systematically studied. In 14 cases the products were characterized by X‐ray diffraction and correlations with the situation in solution were made. The more the AM ions get detached from the carbonite ligand, the lower is the degree of aggregation. At the same time the extent of CO2 activation is decreased as indicated by the structural and spectroscopic analysis and reactivity studies. Accompanying DFT studies showed that the coordinating AM Lewis acidic fragment withdraws only a small amount of charge from the carbonite moiety, but it also affects the internal charge equilibration between the LtBuNi and carbonite moieties.
1,3‐Dipolar Cycloaddition of Polycyclic Aromatic Azomethine Ylides and Alkynylbenziodoxoles for Synthesis of Functional Dibenzoullazines†
Authors: Han Hui , Goh Glen Wee Zhuan , Li Yongxin , Yoshikai Naohiko , Ito Shingo 
Published: January 2024

Comprehensive SummaryA new family of dibenzoullazine derivatives was synthesized through 1,3‐dipolar cycloaddition of polycyclic aromatic azomethine ylides with alkynylbenziodoxoles followed by oxidation. The benziodoxole moiety in the resulting products was used as a versatile linchpin for the synthesis of structurally diverse functional dibenzoullazines that are difficult to access by other synthetic methods.
The Scope of the Applicability of Non‐relativistic DFT Calculations of NMR Chemical Shifts in Pyridine‐Metal Complexes for Applied Applications
Authors: Shenderovich Ilya G. 
Published: January 2024

AbstractHeavy metals are toxic, but it is impossible to stop using them. Considering the variety of molecular systems in which they can be present, the multicomponent nature and disorder of the structure of such systems, one of the most effective methods for studying them is NMR spectroscopy. This determines the need to calculate NMR chemical shifts for expected model systems. For elements beyond the third row of the periodic table, corrections for relativistic effects are necessary when calculating NMR parameters. Such corrections may be necessary even for light atoms due to the shielding effect of a neighboring heavy atom. This work examines the extent to which non‐relativistic DFT calculations are able to reproduce experimental 15N and 113Cd NMR chemical shift tensors in pyridine‐metal coordination complexes. It is shown that while for the calculation of 15N NMR chemical shift tensors there is no real need to consider relativistic corrections, for 113Cd, on the contrary, none of the tested calculation methods could reproduce the experimentally obtained tensor to any extent correctly.
Researcher effects on the biological structure and edaphic conditions of field sites and implications for management
Authors: Rinehart Shelby A. , Dybiec Jacob M. , Richardson Parker , Walker Janet B. , Peabody James D. , Cherry Julia A. 
Published: January 2024

AbstractField studies are necessary for understanding natural processes in spite of the human‐induced disturbances they cause. While researchers acknowledge these effects, no studies have empirically tested the direct (e.g., harvesting plants) and indirect (i.e., trampling) effects of researcher activities on biological structure and edaphic conditions. We leveraged field studies in Alabama and California to monitor the recovery of tidal marshes following research activities. Researcher effects on animals, plants, and sediment conditions remained prevalent almost one year after the disturbance ended. For instance, trampled plots had 14%–97% lower plant cover than undisturbed plots after >10 months of recovery. Researcher effects also impacted plant composition, leading to increased subordinate species abundance. We encourage field researchers to adopt strategies that reduce their scientific footprints, including reducing field visits, limiting field team size, and considering ways to limit potential environmental impacts during study design.