bluuebunny/crossref_metadata_2025 huggingface dataset:
Orthotetrahedral crystal structures My(TO4)z (T = Si, Ge, P, As, S, Se, Cl, Br, I): geometrical-topological analysis, quasi-binary representation, and comparison with the AyXz compounds by the method of coordination sequences
Authors: Ilyushin Gregory D. , Blatov Vladislav A. , Zakutkin Yuri A.
Published: August 2004

Topological analysis of atomic nets in the crystal structures of 284 anhydrous inorganic salts My(TO4)z (T = Si, Ge, P, As, S, Se, Cl, Br, I) containing isolated orthogroups TO4 was performed by means of the program package TOPOS 3.2. The topological relations were found among the My(TO4)z salts and 1164 topological types of the binary compounds AyXz at the two levels: grey isomorphism and partial isotypism. Using the method of coordination sequences nearly a half (47.5%) of the ortho structures in the quasi-binary representation My[T]z were found to match 27 frequent topological types of the binary compounds (NaCl, NiAs, FeB, α-Al2O3, etc.). The model of cation arrays was shown to sometimes disagree with the model of atomic nets while comparing; the reasons of such disagreements were discussed.
Synthesis, crystal structure and thermal decomposition of potassium-doped carbonated hydroxyapatite
Authors: Ivanova Tatjana I. , Frank-Kamenetskaya Olga V. , Kol'tsov Alexander B.
Published: August 2004

The well-crystallised polycrystalline sample of the potassium-doped waterless apatite Ca8.40K0.34 · [(PO4)3.15(HPO4)1.30(CO3)]1.55(OH)2 (a = 9.4015(3), c = 6.8985(2) Å, sp.gr. P63/m, Z = 1) with very high carbonate content (7.7 wt% of CO2) has been prepared by the reaction of calcite with KH2PO4 solution under hydrothermal conditions. The Rietveld refinement (R
wp = 0.052) of its crystal structure allowed to find the new orientation of a carbonate triangle. It crosses a PO4 tetrahedron just in its centre so that the positions of a carbon atom coincides with that of a phosphorous atom, and the triangle plane is parallel to the z-axis. The charge disbalance is compensated mainly by the vacancies in the cation sites. The absence of lattice water in the channels is the consequence of the extremely high concentrations of the divalent anions replacing PO4 tetrahedra in the structure.
Solid state miscibility in the pseudo-binary TiO2—(FeSb)O4 system at 1373 K
Authors: Martinelli Alberto , Ferretti Maurizio , Basso Riccardo , Cabella Roberto , Lucchetti Gabriella , Marescotti Pietro , Buscaglia Vincenzo
Published: August 2004

The tetragonal rutile-type (FeSb)O4 compound was synthesized reacting Fe2O3 and Sb2O3 in O2. Solid solubility in the pseudo-binary TiO2—(FeSb)O4 (rutile — tripuhyite) system was investigated annealing powder mixtures characterized by different TiO2/(FeSb)O4 molar ratios in an O2 flux. Complete miscibility was found in the whole compositional range at 1373 K. The crystal structures of (FeSb)O4 and selected terms of the (Ti2xFe1–xSb1–x)O4 solid solution (0 ≤ x ≤ 1) were refined from X-ray powder diffraction data using the Rietveld method. Selective broadening of the X-ray lines was observed and analyzed by means of the Gaussian quadratic plot. Line broadening is probably related to a phase transformation taking place at low temperature, as suggested by the excess molar volume of the solid solution. As a result local chemical inhomogeneity and microstrain in the direction perpendicular to the 00l lattice planes for compositions 0.2 ≤ x ≤ 0.6 are generated.
Multiple twinning of diamond synthesized by acetylene flame
Authors: Son Sam Ick , Chung Su Jin
Published: August 2004

The relation between the domains and domain boundaries of multiple twins of diamond were investigated by the electron back scatter diffraction (EBSD) method and high resolution transmission electron microscopy (HRTEM). Multiple twinned diamonds have two types of icosahedral morphologies. One is an almost perfect icosahedron in which all of the faces are {111} faces. The other is a hollow icosahedron similar to one of the Kepler-Poinsot polyhedrons. The indented negative trigonal faces are formed from the {100} faces of a cube. It was confirmed that the convex edges of the twinned icosahedron corresponded to the Σ3 boundaries, whereas the concave edges were assigned to the Σ9 twin boundary by means of the EBSD analysis.

It was confirmed from the HRTEM image that a series of dislocations compensate for the mismatching angle which occurs after five successive twinning.
Crystal and molecular structures of two triorganophosphinegold(I) 2-amino-cyclopent-1-ene-1-carbodithioates
Authors: Ho Soo Yei , Tiekink Edward R. T.
Published: August 2004

The molecular structures of Ph3PAu · (S2CC5H6NH2-2) and (4-MeOC6H4)3PAu(S2CC5H6NH2-2) · CH2Cl2 display the expected linear S-Au-P coordination geometries. The hydrogen-bonding functionality in the 1,1-dithiolate ligands, i.e., —NH2 groups, allows for the formation of hydrogen-bonded, i.e., N—H…S, mediated chains in the respective crystal structures.
Breastfeeding Initiation by WIC Receipt After Formula Shortages in 2022
Authors: Thoma Marie E. , Mallick Lindsay M. , Hodges Leslie , Guthrie Joanne
Published: February 2024

This study assesses differences in breastfeeding initiation trends between Special Supplemental Nutrition Program for Women, Infants, and Children (WIC) participants and WIC-eligible nonparticipants before, during, and after the 2022 infant formula disruption.
Federal Transportation Regulations Limit Access to Clinical Trials and Oncology Care
Authors: Pancoe Sam , Ko Emily M. , Smith Anna Jo Bodurtha
Published: February 2024

This Viewpoint discusses how improving accessibility to oncology services will lead to more equitable care for patients with cancer.
Field‐Free Switching of Magnetization in Oxide Superlattice by Engineering the Interfacial Reconstruction
Authors: Zheng Dongxing , Fang Yue‐Wen , Wen Yan , Song Kepeng , Li Yan , Fang Bin , Zhang Chenhui , Chen Aitian , Liu Chen , Algaidi Hanin , Tang Meng , Ma Yinchang , Li Peng , Zhang Xixiang
Published: February 2024

Spin‐orbit torque resulting from non‐magnetic materials with strong spin‐orbit coupling enables electrically controlled magnetization switching, offering potential applications in ultralow‐power memory and logic devices. However, such switching of perpendicular magnetization usually requires an in‐plane magnetic field along the applied current direction, which limits its use. To address this challenge, an all‐oxide superlattice is designed and fabricated that show both the perpendicular magneto‐crystalline anisotropy and in‐plane magnetic anisotropies induced by interfacial engineering. The results demonstrate that the coexistence of perpendicular and in plane magnetic anisotropy breaks the symmetry and thus enables the pure electrical switching of perpendicular magnetization.
Machine Learning in Soft Matter: From Simulations to Experiments
Authors: Zhang Kaihua , Gong Xiangrui , Jiang Ying
Published: February 2024

Soft matter with diverse functionalities that are easily designable has fascinated tremendous research interests in the past several decades. Nevertheless, the inherent confluence of time and length scale ubiquitous in soft matter immensely complicates the elucidation of the structure–property relationship and thereby severely impedes the function exploration of soft materials. Recently, the emergent machine learning (ML) techniques open new paradigms in property prediction and molecular design of functional materials, due to their extraordinarily distinguished performance in the aspect of trend identity and pattern extraction from data, and objective optimization by accelerating the guided search in high‐dimensional spaces. This review exclusively focuses on the current state‐of‐the‐art progress in the development of ML techniques applied in the realms of soft matter, ranging from coarse‐grained simulations to theoretical prediction on the structural formation and macroscopic properties, as well as the optimization and algorithm‐aided design in experiments. Finally, an outlook on the challenges and opportunities for this rapidly evolving field is discussed.
Rational Design of Janus Metal Atomic‐Site Catalysts for Efficient Polysulfide Conversion and Alkali Metal Deposition: Advances and Prospects
Authors: Dai Guangfu , Li Shouzhe , Shi Menglin , Sun Lingxin , Jiang Ying , Hui Kwun Nam , Ye Zhengqing
Published: February 2024

Although metal–sulfur batteries (M–S batteries, M = Li, Na, K) are promising next‐generation energy‐storage devices because of ultrahigh theoretical energy density, low cost, and environmentally friendliness, their practical applications are significantly hindered by the shuttle effect of polysulfides and growth of alkali metal dendrites. These issues can be mitigated by using Janus metal atomic‐site catalysts, which possess the maximum atom utilization efficiency (≈100%), adjustable electronic structures, and tailorable catalytic sites, thereby effectively improving the electrochemical performance of M–S batteries. In this review, the recent progress and development of Janus metal atomic‐sites on the properties, synthesis, and characterizations are reviewed. Then, the recent advances in Janus metal atomic‐site catalysts intended for accelerating polysulfide conversion and regulating alkali metal deposition, briefly introducing the working principles of the Janus metal atomic‐site catalysts in M–S batteries, are systematically summarized. Furthermore, a high emphasis is placed on effective regulation strategies for the rational design of Janus metal atomic‐site catalysts in M–S batteries. Finally, the current challenges and future research directions are also presented to develop high‐efficiency Janus metal atomic‐site catalysts for high‐energy M–S batteries.
Mn‐Based Artificial Mitochondrial Complex “VI” Acts as an Electron and Free Radical Conversion Factory to Suppress Macrophage Inflammatory Response
Authors: Ren Mingxing , Zhou Chongjing , Li Xinyi , Zhang Yining , Li Meng , Song Haoyue , Liu Fengyi , Chen Tao , Xu Xinxin , Yang Sheng
Published: February 2024

Disturbance in the mitochondrial electron transport chain (ETC) is a key factor in the emerging discovery of immune cell activation in inflammatory diseases, yet specific regulation of ETC homeostasis is extremely challenging. In this paper, a mitochondrial complex biomimetic nanozyme (MCBN), which plays the role of an artificial “VI” complex and acts as an electron and free radical conversion factory to regulate ETC homeostasis is creatively developed. MCBN is composed of bovine serum albumin (BSA), polyethylene glycol (PEG), and triphenylphosphine (TPP) hierarchically encapsulating MnO2 polycrystalline particles. It has nanoscale size and biological properties like natural complexes. In vivo and in vitro experiments confirm that MCBN can target the mitochondrial complexes of inflammatory macrophages, absorb excess electrons in ETC, and convert the electrons to decompose H2O2. By reducing the ROS and ATP bursts and converting existing free radicals, inhibiting NLRP3 inflammatory vesicle activation and NF‐κB signaling pathway, MCBN effectively suppresses macrophage M1 activation and inflammatory factor secretion. It also demonstrates good inflammation control and significantly alleviates alveolar bone loss in a mouse model of ligation‐induced periodontitis. This is the first nanozyme that mimics the mitochondrial complex and regulates ETC, demonstrating the potential application of MCBN in immune diseases.
Molecular Motor‐Driven Light‐Controlled Logic‐Gated K+ Channel for Cancer Cell Apoptosis
Authors: Li Cong , Wu Yaqi , Zhu Yihang , Yan Jing , Liu Shengda , Xu Jiayun , Fa Shixin , Yan Tengfei , Zhu Dingcheng , Yan Yi , Liu Junqiu
Published: February 2024

Developing artificial ion transport systems, which process complicated information and step‐wise regulate properties, is essential for deeply comprehending the subtle dynamic behaviors of natural channel proteins (NCPs). Here a photo‐controlled logic‐gated K+ channel based on single‐chain random heteropolymers containing molecular motors, exhibiting multi‐core processor‐like properties to step‐wise control ion transport is reported. Designed with oxygen, deoxygenation, and different wavelengths of light as input signals, complicated logical circuits comprising “YES”, “AND”, “OR” and “NOT” gate components are established. Implementing these logical circuits with K+ transport efficiencies as output signals, multiple state transitions including “ON”, “Partially OFF” and “Totally OFF” in liposomes and cancer cells are realized, further causing step‐wise anticancer treatments. Dramatic K+ efflux in the “ON” state (decrease by 50% within 7 min) significantly induces cancer cell apoptosis. This integrated logic‐gated strategy will be expanded toward understanding the delicate mechanism underlying NCPs and treating cancer or other diseases is expected.
Sensitive Thermochromic Behavior of InSeI, a Highly Anisotropic and Tubular 1D van der Waals Crystal
Authors: Cordova Dmitri Leo Mesoza , Zhou Yinong , Milligan Griffin M. , Cheng Leo , Kerr Tyler , Ziller Joseph , Wu Ruqian , Arguilla Maxx Q.
Published: February 2024

Thermochromism, the change in color of a material with temperature, is the fundamental basis of optical thermometry. A longstanding challenge in realizing sensitive optical thermometers for widespread use is identifying materials with pronounced thermometric optical performance in the visible range. Herein, it is demonstrated that single crystals of indium selenium iodide (InSeI), a 1D van der Waals (vdW) solid consisting of weakly bound helical chains, exhibit considerable visible range thermochromism. A strong temperature‐dependent optical band edge absorption shift ranging from 450 to 530 nm (2.8 to 2.3 eV) over a 380 K temperature range with an experimental (dEg/dT)max value extracted to be 1.26 × 10−3 eV K−1 is shown. This value lies appreciably above most dense conventional semiconductors in the visible range and is comparable to soft lattice solids. The authors further seek to understand the origin of this unusually sensitive thermochromic behavior and find that it arises from strong electron–phonon interactions and anharmonic phonons that significantly broaden band edges and lower the Eg with increasing temperature. The identification of structural signatures resulting in sensitive thermochromism in 1D vdW crystals opens avenues in discovering low‐dimensional solids with strong temperature‐dependent optical responses across broad spectral windows, dimensionalities, and size regimes.
Multi‐Functional Spirobifluorene Phosphonate Based Exciplex Interface Enables Voc Reaching 95% of Theoretical Limit for Perovskite Solar Cells
Authors: Hu Xinyu , Shen Ni , Zhang Dezhong , Wu Yanjie , Shang Rui , Wang Lixiang , Qin Chuanjiang
Published: February 2024

Metal halide perovskite solar cells (PSCs) show significant advancements in power conversion efficiency (PCE). However, the open‐circuit voltage (VOC) of PSCs is limited by interfacial factors such as defect‐induced recombination, energy band mismatch, and non‐intimate interface contact. Here, an exciplex interface is first developed based on the strategically designed and synthesized two spirobifluorene phosphonate molecules to mitigate VOC loss in PSCs. The exciplex interface constructed by the intimate contact between the multi‐functional molecules and hole transport layer takes the roles to promote the hole extraction by donor–acceptor interaction, passivate coordination‐unsaturated Pb2+ defects by equipped phosphonate groups, and optimize the energy level alignment. As a result, a record VOC of 1.26 V with a perovskite bandgap of 1.61 eV is achieved, representing over 95% of theoretical limit. This advancement leads to an increase in PCE from 21.29% to 24.12% and improved stability. The exciplex interface paves the way for addressing the long‐standing challenge of VOC loss and promotes the wider application of PSCs.
An Origami Continuum Manipulator with Modularized Design and Hybrid Actuation: Accurate Kinematic Modeling and Experiments
Authors: Zhang Qiwei , Tan Kangning , He Zihan , Pang Hongsen , Wang Yanjie , Fang Hongbin
Published: February 2024

Herein, this study contributes significantly to the advancement of continuum manipulators in two main aspects. First, a modularization concept and a hybrid actuation scheme to create a novel origami continuum manipulator with exceptional deformability are introduced. Second, an accurate model and framework for the forward and inverse kinematic analysis of origami manipulators are proposed. Specifically, each origami manipulator module can achieve axial extension and bending deformation by coordinated actuation of shape memory alloy (SMA) and pneumatic muscles, and the manipulator's end is equipped with a deformable gripper based on waterbomb origami and actuated by SMA. Through careful consideration of the self‐weight and torque balance, an accurate kinematic model based on the Denavit–Hartenberg method is established, which enables one to effectively predict the reachable extreme positions and spatial poses of the manipulator and solve the inverse kinematics using a genetic algorithm. Comprehensive experiments are conducted to validate the design's rationality and model's accuracy . In these tests, the rich spatial configurations are not only demonstrated that can be achieved by integrating hybrid actuators with origami modules but also the accuracy and reliability of the kinematic model are confirmed, opening up possibilities for the advancement and application of origami‐inspired robotics in various fields.
Accessorizing Quadrupedal Robots with Wearable Electronics
Authors: Kim Min Sung , Belkadi Dhiya Eddine , Mayer Henry Stellwag , Tong Kyle , Faruqi Mahad Khalid , Hassan Khaleel Ibrahim , Kim Joo Min , Babatain Wedyan , Fahad Hossain Mohammad , Hussain Muhammad Mustafa
Published: February 2024

Robots epitomize one of the most popular human imaginations that are evolving to become reality in the most pervasive way. Especially with the rise of artificial intelligence, it is more hopeful than ever that robots one day will be the interactive companions with some degree of emotion. A variety of robots in different forms with considerable mobility are available today. Among them, legged robots are the most attractive due to their dexterity, traversal versatility, functional modularity, and locomotive stability. Legged robots like robotic dogs can survey unchartered territories in uncertain environments. In this comprehensive review article, the status quo of this emerging and exciting field and how electronics of various form factors can functionalize them in an unbiased manner are surveyed and discussed. Different accessories currently available for quadrupedal robots, wearable devices potentially integratable with these robots, data management/integration strategies for reliable interfacing, and future outlook are discussed.
Manual preference, performance, and dexterity for bimanual grass‐feeding behavior in wild geladas (Theropithecus gelada)
Authors: Truppa Valentina , Gamba Marco , Togliatto Roberta , Caselli Marta , Zanoli Anna , Palagi Elisabetta , Norscia Ivan
Published: February 2024

We assessed whether wild geladas, highly specialized terrestrial grass eaters, are lateralized for bimanual grass‐plucking behavior. According to the literature, we expected that complex motor movements in grass feeding would favor the emergence of a population‐level hand bias in these primates. In addition, we described geladas' manual behavior based on systematic observations of several individuals. Our study group included 28 individuals belonging to a population of free‐ranging geladas frequenting the Kundi plateau, Ethiopia. We filmed monkeys while feeding on grass, and hand preference and performance were coded. Geladas performed more plucking movements per second with their left hand (LH) compared to the right one and preferred their LH both to start and finish collection bouts. Also, the rhythmic movements of each hand had a significant tendency toward isochrony. Finally, geladas used forceful pad‐to‐pad precision grips, in‐hand movements, and compound grips to pluck and collect grass blades, considered the most advanced manual skills in primate species. The LH's leading role suggests an advantage of the right hemisphere in regulating geladas' bimanual grass‐feeding behavior. The tactile input from the hands and/or rhythmic hand movements might contribute to explaining this pattern of laterality. Our findings highlighted the importance of adopting multiple laterality measures to investigate manual laterality. Moreover, the need to speed up the execution time of manual foraging might be a further important factor in studying the evolution of manual laterality and dexterity in primates.
A pH‐Sensitive Smart Monomer Prevents Oral Cancer Progression
Authors: Liu Shiyu , Chen Jing , Zhou Xuedong , Hao Yu , Zong Yawen , Shi Yangyang , Guo Xiao , Han Qi , Li Mingyun , Li Bolei , Cheng Lei
Published: February 2024

Oral squamous cell carcinoma (OSCC) is a prevalent cancer worldwide, and the development of anti‐OSCC materials is urgent. The tumor microenvironment has been identified as a significant characteristic of cancer, with the pHe value in OSCC ranging from 6.56 to 6.97. Given the acidic nature of OSCC, the creation of pH‐sensitive antitumor materials has become a prominent area of research. A pH‐sensitive tertiary amine monomer, dodecylmethylaminoethyl methacrylate (DMAEM), has been previously synthesized. This study aims to evaluate the impact of DMAEM on OSCC. The results demonstrated that DMAEM inhibited the proliferation, migration, and invasion of OSCC cells. Furthermore, it promoted apoptosis and autophagy of OSCC cells, with its anti‐OSCC effect being strengthened in the acidic environment. In a subcutaneous transplantation tumor model, DMAEM inhibited the growth of OSCC and expression of Ki‐67. The analysis of 16S rDNA sequencing data revealed that DMAEM had no significant impact on the Alpha/Beta diversity of the gastrointestinal tract microbiota in mice and had minimal effect on its composition. Overall, this study suggests that DMAEM exhibits pH‐responsive behavior in the acidic tumor microenvironment, effectively inhibiting OSCC without disturbing the gastrointestinal microbiota. These findings highlight the potential of DMAEM for clinical applications in OSCC treatment.
Biodegradable Monometallic Aluminum as a Biotuner for Tumor Pyroptosis
Authors: Liang Yuan , Lei Pengpeng , An Ran , Du Pengye , Liu Shuyu , Wei Yi , Zhang Hongjie
Published: February 2024

Pyroptosis is an effective anti‐tumor strategy. However, monometallic pyroptosis biotuners have not been explored until now. Here, we discover for the first time that biodegradable monometallic Al can act as a pyroptosis biotuner for tumor therapy. pH‐sensitive Al nanoparticles (Al@P) are obtained by equipping polyethylene glycol‐b‐(poly(methyl methacrylate)‐co‐poly(4‐vinylpyridine), which can exert their effect at the tumor site without affecting normal cells. The H2 and Al3+ release by Al@P in the acidic environment of tumors disrupts the redox balance and ionic homeostasis in tumor cells, thus generating large amounts of reactive oxygen species (ROS), leading to caspase‐1 activation, gasdermin D cleavage, and IL‐1β/LDH release, which induces canonical pyroptotic death. Meanwhile, the prodrug Doxorubicin (Pro‐DOX) is successfully loaded onto Al@P (Al@P‐P) and can be activated by ROS to release DOX in the tumor cells, thus further improving the tumor‐killing efficiency. Ultimately, Al@P‐P is degradable and exhibits efficient tumor inhibition.
Adaptisorption of Nonporous Polymer Crystals
Authors: Shan Tianyu , Chen Liya , Xiao Ding , Xiao Xuedong , Wang Jiao , Chen Xuan , Guo Qing‐Hui , Li Guangfeng , Stoddart J. Fraser , Huang Feihe
Published: February 2024

Although our knowledge and understanding of adsorptions in natural and artificial systems has increased dramatically during the past century, adsorption associated with nonporous polymers remains something of a mystery, hampering applications. Here we demonstrate a model system for adaptisorption of nonporous polymers, wherein dative B−N bonds and host‐guest binding units act as the kinetic and thermodynamic components, respectively. The coupling of these two components enables nonporous polymer crystals to adsorb molecules from solution and undergo recrystallization as thermodynamically favored crystals. Adaptisorption of nonporous polymer crystals not only extends the types of adsorption in which the sorbate molecules are integrated in a precise and orderly manner in the sorbent systems, but also provides a facile and accurate approach to the construction of polymeric materials with precise architectures and integrated functions.
On‐Surface Synthesis of Non‐Benzenoid Nanographenes Embedding Azulene and Stone‐Wales Topologies
Authors: Biswas Kalyan , Chen Qifan , Obermann Sebastian , Ma Ji , Soler‐Polo Diego , Melidonie Jason , Barragán Ana , Sánchez‐Grande Ana , Lauwaet Koen , Gallego José M. , Miranda Rodolfo , Écija David , Jelínek Pavel , Feng Xinliang , Urgel José I.
Published: February 2024

The incorporation of non‐benzenoid motifs in graphene nanostructures significantly impacts their properties, making them attractive for applications in carbon‐based electronics. However, understanding how specific non‐benzenoid structures influence their properties remains limited, and further investigations are needed to fully comprehend their implications. Here, we report an on‐surface synthetic strategy toward fabricating non‐benzenoid nanographenes containing different combinations of pentagonal and heptagonal rings. Their structure and electronic properties were investigated via scanning tunneling microscopy and spectroscopy, complemented by computational investigations. After thermal activation of the precursor P on the Au(111) surface, we detected two major nanographene products. Nanographene Aa−a embeds two azulene units formed through oxidative ring‐closure of methyl substituents, while Aa−s contains one azulene unit and one Stone‐Wales defect, formed by the combination of oxidative ring‐closure and skeletal ring‐rearrangement reactions. Aa−a exhibits an antiferromagnetic ground state with the highest magnetic exchange coupling reported up to date for a non‐benzenoid containing nanographene, coexisting with side‐products with closed shell configurations resulted from the combination of ring‐closure and ring‐rearragement reactions (Ba−a, Ba−s, Bs‐a and Bs−s). Our results provide insights into the single gold atom assisted synthesis of novel NGs containing non‐benzenoid motifs and their tailored electronic/magnetic properties.
Piezofluorochromism in Hierarchical Porous π‐stacked Supermolecular Spring Frameworks from Aromatic Chiral Cages
Authors: Cui Dongxu , Bai Fuquan , Zhang Long , Li Wei , Zhang Yuxiao , Wang Kai , Wu Min , Sun Chunyi , Zang Hongying , Zou Bo , Wang Xinlong , Su Zhongmin
Published: February 2024

Piezochromic materials that exhibit pressure‐dependent luminescence variations are attracting interest with wide potential applications in mechanical sensors, anticounterfeiting and storage devices. Crystalline porous materials (CPMs) have been widely studied in piezochromism for highly tunable luminescence. Nevertheless, reversible and high‐contrast emission response with a wide pressure range is still challenging. Herein, the first example of hierarchical porous cage‐based πOF (Cage‐πOF‐1) with spring structure was synthesized by using aromatic chiral cages as building blocks. Its elastic properties evaluated based on the bulk modulus (9.5 GPa) is softer than most reported CPMs and the collapse point (20.0 GPa) significantly exceeds ever reported CPMs. As smart materials, Cage‐πOF‐1 displays linear pressure‐dependent emission and achieves a high‐contrast emission difference up to 154 nm. Pressure‐responsive limit is up to 16 GPa, outperforming the CPMs reported so far. Dedicated experiments and density functional theory (DFT) calculations illustrate that π–π interactions‐dominated controllable structural shrinkage and porous‐spring‐structure‐mediated elasticity is responsible for the outstanding piezofluorochromism.
Unusual Electronic Structures of an Electron Transfer Series of [Cr(μ‐η1 : η1‐N2)Cr]0/1+/2+
Authors: Wang Gao‐Xiang , Shan Chunxiao , Chen Wang , Wu Botao , Zhang Peng , Wei Junnian , Xi Zhenfeng , Ye Shengfa
Published: February 2024

In dinitrogen (N2) fixation chemistry, bimetallic end‐on bridging N2 complexes M(μ‐η1 : η1‐N2)M can split N2 into terminal nitrides and hence attract great attention. To date, only 4d and 5d transition complexes, but none of 3d counterparts, could realize such a transformation. Likewise, complexes {[Cp*Cr(dmpe)]2(μ‐N2)}0/1+/2+ (1–3) are incapable to cleave N2, in contrast to their Mo congeners. Remarkably, cross this series the N−N bond length of the N2 ligand and the N−N stretching frequency exhibit unprecedented nonmonotonic variations, and complexes 1 and 2 in both solid and solution states display rare thermally activated ligand‐mediated two‐center spin transitions, distinct from discrete dinuclear spin crossovers. In‐depth analyses using wave function based ab initio calculations reveal that the Cr‐N2‐Cr bonding in complexes 1–3 is distinguished by strong multireference character and cannot be described by solely one electron configuration or Lewis structure, and that all intriguing spectroscopic observations originate in their sophisticate multireference electronic structures. More critical is that such multireference bonding of complexes 1–3 is at least a key factor that contributes to their kinetic inertness toward N2 splitting. The mechanistic understanding is then used to rationalize the disparate reactivity of related 3d M(μ‐η1 : η1‐N2)M complexes compared to their 4d and 5d analogs.
Bimetallic Synergy Enables Silole Insertion into THF and the Synthesis of Erbium Single‐Molecule Magnets
Authors: De Siddhartha , Mondal Arpan , Giblin Sean R. , Layfield Richard A.
Published: February 2024

The potassium silole K2[SiC4‐2,5‐(SiMe3)2‐3,4‐Ph2] reacts with [M(η8‐COT)(THF)4][BPh4] (M=Er, Y; COT=cyclo‐octatetraenyl) in THF to give products that feature unprecedented insertion of the nucleophilic silicon centre into a carbon‐oxygen bond of THF. The structure of the major product, [(μ‐η8 : η8‐COT)M(μ‐L1)K]∞ (1M), consists of polymeric chains of sandwich complexes, where the spiro‐bicyclic silapyran ligand [C4H8OSiC4(SiMe3)2Ph2]2− (L1) coordinates to potassium via the oxygen. The minor product [(μ‐η8 : η8‐COT)M(μ‐L1)K(THF)]2 (2M) features coordination of the silapyran to the rare‐earth metal. In forming 1M and 2M, silole insertion into THF only occurs in the presence of potassium and the rare‐earth metal, highlighting the importance of bimetallic synergy. The lower nucleophilicity of germanium(II) leads to contrasting reactivity of the potassium germole K2[GeC4‐2,5‐(SiMe3)2‐3,4‐Me2] towards [M(η8‐COT)(THF)4][BPh4], with intact transfer of the germole occurring to give the coordination polymers [{η5‐GeC4(SiMe3)2Me2}M(η8‐COT)K]∞ (3M). Despite the differences in reactivity induced by the group 14 heteroatom, the single‐molecule magnet properties of 1Er, 2Er and 3Er are similar, with thermally activated relaxation occurring via the first‐excited Kramers doublet, subject to effective energy barriers of 122, 80 and 91 cm−1, respectively. Compound 1Er is also analysed by high‐frequency dynamic magnetic susceptibility measurements up to 106 Hz.
Bitter potato starch‐based film enriched with copaiba leaf extract obtained using supercritical carbon dioxide: Physical–mechanical, antioxidant, and disintegrability properties
Authors: Pérez‐Córdoba Luis Jaime , Sánchez‐Pizarro Augusto , Vélez‐Erazo Eliana Marcela , Peña‐Carrasco Elizabeth Fiorela , Pasquel‐Reátegui José Luis , Martínez‐Tapia Patricia , Velezmoro‐Sánchez Carmen
Published: February 2024

Films based on bitter potato starch (BPS) and its blends with chitosan (BPS‐Ch) or soy protein isolate (BPS‐SPI) loaded with copaiba leaf extract (E) are prepared via the casting method. The physical–mechanical and antioxidant properties of the as‐prepared films are compared with those of a control. Moreover, the half‐maximal degradation (t50) of the prepared films is calculated by fitting the Hill model to disintegrability kinetic data. Among the analyzed films, BPS‐Ch‐E exhibits the lowest (p < 0.05) solubility in water and opacity, strongest water vapor‐barrier (3.58 × 10−11 g m−1 s−1 Pa−1), and highest tensile strength and elongation at break. The Fourier transform infrared spectra of BPS‐Ch‐E and BPS‐SPI‐E demonstrate new peaks at 1550, 1239, and 1070 cm−1 corresponding to NH and CO stretching. The BPS‐E and BPS‐Ch‐E surfaces are devoid of scratches and phase separation. The incorporation of E significantly increases the antioxidant activity of the films. BPS‐SPI‐E and BPS‐Ch‐E demonstrate the lowest (t50 ≈ 1.4 days) and highest (t50 ≈ 3.5 days) disintegration rates, respectively, among the prepared films. E loading facilitates the development of films possessing beneficial physical–mechanical and antioxidant properties as well as rapid disintegrability, enabling their potential application as a eco‐friendly packaging material.
Wastewater‐based Epidemiology to Investigate Spatio‐Temporal Trends in Alcohol Consumption in Aotearoa, New Zealand
Authors: Wilson Miriama K. , Phung Kaitlyn , Chappell Andrew , Pilkington Lisa I.
Published: February 2024

Alcohol is an influential drug that has extensive societal impact. In Aotearoa New Zealand, there are a number of worrying trends related to alcohol consumption including rates of alcohol‐related harm and violence and heavy episodic drinking. To understand and address these issues, alcohol consumption rates and related trends need to be understood. A wastewater‐based epidemiology study was carried out over the course of six months (April–September 2021), sampling one week per month from ten catchment areas covering ~40 % of the national population. The average alcohol consumption was found to be 12.2 mL/person/day. Temporal and geographical trends in alcohol consumption were found; there was higher alcohol consumption on the weekends compared to weekdays, alcohol consumption was inversely related to settlement size, there was increased alcohol consumption due to public holidays and alcohol consumption was not seen to increase during COVID restrictions, however there was a notable change in the weekly trend during lockdowns. This application of alcohol WBE to Aotearoa New Zealand represents a comprehensive national study to understand alcohol consumption and its influences. The knowledge obtained will allow appropriate services and public policies to be reviewed to best serve communities.
Optimization and chemical free fabrication of green synthesized iron nanoparticles as potential MRI contrast agent
Authors: S Yuwvaranni , N Punitha , M Chamundeeswari
Published: February 2024

The current research article has investigated the synthesis and characterization of novel iron nanoparticles (INPs) from neem and betel leaves extract combination using response surface methodology–central composite design and coated with chitosan–curcumin (CCINPs) as a biocompatible and contrast agent for magnetic resonance imaging (MRI). The coating of INPs with chitosan and curcumin (CCINPs) was carried out using a simple, easy, chemical‐free ultrasonication method and characteristics were confirmed by UV–visible (Vis) spectrophotometer (UV–Vis), Fourier‐transform infrared spectroscopy, X‐ray diffraction, scanning electron microscope, atomic force microscopy, and vibrating sample magnetometer. The biocompatibility of the particles was ensured by conducting hemolytic and cell viability assays. The nanoparticle was found to be nonhemolytic (<5%) up to 150 μg/mL for both INPs and CCINPs. The cell viability was stable (peripheral blood mononuclear cells‐PBMCs) till 48 h at 150 μg/mL of INPs and CCINPs. Both the test results produced were found to be biocompatible and additionally, an in vitro MRI study of INPs and CCINPs demonstrated the efficiency of the nanoparticle as a negative contrast agent with enhanced contrast nature in CCINPs. Thus, overall results indicate that the green synthesized chemical‐free novel CCINPs could be a potential candidate for a wide range of applications such as MRI, drug delivery, and in magnetic fluid hyperthermia.
Visualizing acoustic levitation with COMSOL Multiphysics and a simple experimental setup
Authors: Muñoz‐Pérez Francisco M. , Castro‐Palacio Juan C. , Giménez Marcos H. , Monsoriu Juan A.
Published: February 2024

We present a new virtual laboratory developed with COMSOL multiphysics for the simulation of an acoustic levitator, as well as a three‐dimensional (3D) printed experimental setup. Our software application simulates the acoustic pressure field and its interaction with a set of particles. Students can interact with the system having the possibility to change the frequency and distance parameters between transducers in real time. We have also developed and shared for free use the 3D printing design files for the construction of the necessary components for the acoustic levitator, as well as the instructions for its experimental implementation. The experimental results are contrasted, along with those from the virtual laboratory, providing students with useful tools to understand and interpret the acoustic phenomenon in question.
Comparison of percutaneous ablation and hepatectomy for liver metastasis: A single center retrospective study
Authors: Tawara Seiichi , Miyazaki Tetsuro , Kiyota Ryosuke , Maegawa Yuki , Shimizu Takeshi , Yamai Takuo , Kawai Shoichiro , Inoue Takuya , Komatsu Hisateru , Tomokuni Akira , Motoori Masaaki , Yakushijin Takayuki
Published: February 2024

Aim

To investigate the current treatment for liver metastasis and clarify the indications for percutaneous thermal ablation for liver metastasis.

Methods

Ninety‐two patients were enrolled and retrospectively analyzed. The patients underwent hepatectomy and/or percutaneous thermal ablation for liver metastases between January 2012 and December 2018. Twenty‐six patients who underwent ablation treatment and seven patients who underwent both ablation and hepatectomy were included in the ablation treatment group (group A). We compared these patients with 59 patients who underwent hepatectomy only (group H). Subgroup analyses were performed between ablation (group AC) for colorectal liver metastasis and hepatectomy (group HC) for colorectal liver metastasis in 17 and 53 patients, respectively.

Results

The percentage of liver metastases other than colorectal cancer in group A was higher than that in the group H. Maximum tumor size in group A was significantly smaller than that in group H. Similarly, the patients in group AC were significantly older and demonstrated higher total bilirubin, lower serum albumin, and lower platelet counts than those in group HC. Overall survival was poorer in the AC group than that in the HC group. However, no differences were observed at metastasis ≤2 cm in size.

Conclusions

Percutaneous thermal ablation was performed for many cancer types than hepatectomy. It is performed in elderly patients. We suggested that ablation for colorectal liver metastasis sized ≤2 cm is a suitable indication.
Anti‐tumorigenic effects of naive and TLR4‐primed adipose‐derived mesenchymal stem cells on pancreatic ductal adenocarcinoma cells
Authors: Kaçaroğlu Demet , Yaylacı Seher , Gurbuz Nilgun
Published: February 2024

Background

One of the main reasons for the unsuccessful treatment of pancreatic cancer is the intense desmoplastic pancreatic microenvironment. In the literature, the effects of mesenchymal stem cells (MSCs) and their inflammatory phenotypes on cancer cells have been a subject of controversy. Therefore, it is crucial to elucidate the underlying mechanisms of this interaction, especially in the context of pancreatic cancer. We aimed to investigate the effects of naive, TLR4‐activated, and TLR4‐inhibited phenotypes of adipose‐derived MSCs (ADMSC) on pancreatic ductal cell line (Panc‐1).

Methods and Materials

Adipose‐derived MSCs were induced into a proinflammatory phenotype using a 0.5 μg/mL dose of TLR4 agonist, while an anti‐inflammatory phenotype was generated in ADMSCs using a 25 μg/mL dose of TLR4 antagonist. We observed that the proliferation of Panc‐1 cells was inhibited when naive ADMSCs:Panc‐1(10:1) and proinflammatory ADMSCs:Panc‐1(10:1) were directly cocultured.

Results

In indirect coculture, both naive and proinflammatory ADMSCs exhibited a significant 10‐fold increase in their inhibitory effect on the proliferation and colony forming capacity of Panc‐1 cells, with the added benefit of inducing apoptosis. In our study, both naive and proinflammatory ADMSCs were found to regulate the expression of genes associated with metastasis (MMP2, KDR, MMP9, TIMP1, IGF2R, and COL1A1) and EMT (CDH1, VIM, ZEB1, and CLDN1) in Panc‐1 cells. Remarkably, both naive and proinflammatory ADMSCs demonstrated antitumor effects on Panc‐1 cells. However, it was observed that anti‐inflammatory ADMSCs showed tumor‐promoting effects instead. Furthermore, we observed a reciprocal influence between ADMSCs and Panc‐1 cells on each other's proinflammatory cytokine expressions, suggesting a dynamic interplay within the tumor microenvironment.

Conclusions

These findings underscore the significance of both the naive state and different inflammatory phenotypes of MSCs in the microenvironment and represent a pivotal step toward the development of novel therapeutic approaches for pancreatic cancer. Understanding the intricate interactions between MSCs and cancer cells may open new avenues for targeted interventions in cancer therapy.
Gemcitabine‐based conditioning compared to BEAM/BEAC conditioning prior to autologous stem cell transplantation for non‐Hodgkin lymphoma: No difference in outcomes
Authors: Liu Huimin , Zou Hesong , Shan Dandan , Liu Wei , Huang Wenyang , Sui Weiwei , Deng Shuhui , Wang Tingyu , Lv Rui , Fu Mingwei , Xu Yan , Yi Shuhua , An Gang , Zhao Yaozhong , Qiu Lugui , Zou Dehui
Published: February 2024

Background

High‐dose chemotherapy followed by autologous stem cell transplantation (ASCT) remains an effective treatment for non‐Hodgkin lymphoma (NHL). The limited availability of carmustine has prompted the exploration of novel alternative conditioning regimens. This study aimed to compare the efficacy and safety profile of GBM/GBC (gemcitabine, busulfan, and melphalan or cyclophosphamide) conditioning compared with the standard BEAM/BEAC regimens (carmustine, etoposide, cytarabine, and melphalan or cyclophosphamide) for ASCT in patients with NHL.

Methods

A retrospective analysis was conducted on 231 NHL patients, who underwent ASCT from October 2010 to October 2021 at the Institute of Hematology & Blood Disease Hospital, including both first‐line and salvage settings. This resulted in the inclusion of 112 patients in the GBM/GBC arm and 92 in the BEAM/BEAC arm. Propensity score matching was employed to validate the results.

Results

Disease subtype distribution was similar between the GBM/GBC and BEAM/BEAC groups, with diffuse large B‐cell lymphoma being the most common (58.9% vs. 58.7%), followed by PTCL (17.0% vs. 18.5%) and MCL (14.3% vs. 14.1%). At 3 months post‐ASCT, complete response (CR) rates were comparable (GBM/GBC 93.5% vs. BEAM/BEAC 91.1%; p = 0.607). The 4‐year progression‐free survival (78.4% vs. 82.3%; p = 0.455) and 4‐year overall survival (88.1% vs. 87.7%; p = 0.575) were also similar. Both groups exhibited low non‐relapse mortality at 4 years (GBM/GBC 1.8% vs. BEAM/BEAC 3.5%; p = 0.790) with no transplant‐related mortalities reported. The GBM/GBC cohort demonstrated a higher incidence of grade 3/4 oral mucositis and hepatic toxicity, whereas the BEAM/BEAC group had more frequent cases of bacteremia or sepsis (13 cases vs. 5 in GBM/GBC).

Conclusions

The GBM/GBC regimen is effective and well‐tolerated, offering outcomes that are highly comparable to those in NHL patients conditioned with BEAM/BEAC, as demonstrated in a prognostically matched cohort.
Application of computer‐aided detection for NCCN‐based follow‐up recommendation in subsolid nodules: Effect on inter‐observer agreement
Authors: Quanyang Wu , Lina Zhou , Yao Huang , Jiawei Wang , Wei Tang , Linlin Qi , Zewei Zhang , Donghui Hou , Hongjia Li , Shuluan Chen , Jiaxing Zhang , Shijun Zhao
Published: February 2024

Rationale and Objectives

Computer‐aided detection (CAD) of pulmonary nodules reduces the impact of observer variability, improving the reliability and reproducibility of nodule assessments in clinical practice. Therefore, this study aimed to assess the impact of CAD on inter‐observer agreement in the follow‐up management of subsolid nodules.

Materials and Methods

A dataset comprising 60 subsolid nodule cases was constructed based on the National Cancer Center lung cancer screening data. Five observers independently assessed all low‐dose computed tomography scans and assigned follow‐up management strategies to each case according to the National Comprehensive Cancer Network (NCCN) guidelines, using both manual measurements and CAD assistance. The linearly weighted Cohen’s kappa test was used to measure agreement between paired observers. Agreement among multiple observers was evaluated using the Fleiss kappa statistic.

Results

The agreement of the five observers for NCCN follow‐up management categorization was moderate when measured manually, with a Fleiss kappa score of 0.437. Utilizing CAD led to a notable enhancement in agreement, achieving a substantial consensus with a Fleiss kappa value of 0.623. After using CAD, the proportion of major and substantial management discrepancies decreased from 27.5% to 15.8% and 4.8% to 1.5%, respectively (p < 0.01). In 23 lung cancer cases presenting as part‐solid nodules, CAD significantly elevates the average sensitivity in detecting lung cancer cases presenting as part‐solid nodules (overall sensitivity, 82.6% vs. 92.2%; p < 0.05).

Conclusion

The application of CAD significantly improves inter‐observer agreement in the follow‐up management strategy for subsolid nodules. It also demonstrates the potential to reduce substantial management discrepancies and increase detection sensitivity in lung cancer cases presenting as part‐solid nodules.
Cancer and the family: Variations by sex and race/ethnicity
Authors: Asiedu Charlotte , McKinney Nicole S. , Willis Alliric I. , Lewis Frances M. , Virtue Shannon , Davey Adam
Published: February 2024

Background

Cancer affects patients and their families, but few data are available on factors associated with diversity of family structures among patients with cancer. Family is a source of both support and responsibility that must be understood to support patients and their families.

Methods

Pooled data (2004–2015) from the National Health Interview Study were used to compare characteristics of cancer survivors with and without minor children and differences by sex and race/ethnicity among survivors with minor children.

Results

13.9% of cancer survivors have minor children in the household, and this experience is more likely for women and people who identify as other than non‐Hispanic White.

Conclusion

There are considerable differences by sex and race/ethnicity in the characteristics of cancer survivors with minor children. Clinicians should make consideration of family circumstances a routine part of their history. Doing so will help to identify potential sources of support and responsibility that may affect adherence.