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1.
Proc Natl Acad Sci U S A ; 121(26): e2401840121, 2024 Jun 25.
Artículo en Inglés | MEDLINE | ID: mdl-38900793

RESUMEN

The recent theory-driven discovery of a class of clathrate hydrides (e.g., CaH6, YH6, YH9, and LaH10) with superconducting critical temperatures (Tc) well above 200 K has opened the prospects for "hot" superconductivity above room temperature under pressure. Recent efforts focus on the search for superconductors among ternary hydrides that accommodate more diverse material types and configurations compared to binary hydrides. Through extensive computational searches, we report the prediction of a unique class of thermodynamically stable clathrate hydrides structures consisting of two previously unreported H24 and H30 hydrogen clathrate cages at megabar pressures. Among these phases, LaSc2H24 shows potential hot superconductivity at the thermodynamically stable pressure range of 167 to 300 GPa, with calculated Tcs up to 331 K at 250 GPa and 316 K at 167 GPa when the important effects of anharmonicity are included. The very high critical temperatures are attributed to an unusually large hydrogen-derived density of states at the Fermi level arising from the newly reported peculiar H30 as well as H24 cages in the structure. Our predicted introduction of Sc in the La-H system is expected to facilitate future design and realization of hot superconductors in ternary clathrate superhydrides.

2.
J Am Chem Soc ; 146(20): 13797-13804, 2024 May 22.
Artículo en Inglés | MEDLINE | ID: mdl-38722223

RESUMEN

Hydrides are promising candidates for achieving room-temperature superconductivity, but a formidable challenge remains in reducing the stabilization pressure below a megabar. In this study, we successfully synthesized a ternary lanthanum borohydride by introducing the nonmetallic element B into the La-H system, forming robust B-H covalent bonds that lower the pressure required to stabilize the superconducting phase. Electrical transport measurements confirm the presence of superconductivity with a critical temperature (Tc) of up to 106 K at 90 GPa, as evidenced by zero resistance and Tc shift under an external magnetic field. X-ray diffraction and transport measurements identify the superconducting compound as LaB2H8, a nonclathrate hydride, whose crystal structure remains stable at pressures as low as ∼ half megabar (59 GPa). Stabilizing superconductive stoichiometric LaB2H8 in a submegabar pressure regime marks a substantial advancement in the quest for high-Tc superconductivity in polynary hydrides, bringing us closer to the ambient pressure conditions.

3.
Neurobiol Dis ; 191: 106402, 2024 Feb.
Artículo en Inglés | MEDLINE | ID: mdl-38184015

RESUMEN

Social dominance is a universal phenomenon among grouped animals that profoundly affects survival, health, and reproductive success by determining access to resources, and exerting a powerful influence on subsequent behavior. However, the understanding of pain and anxiety comorbidities in dominant or subordinate animals suffering from chronic pain is not well-defined. Here, we provide evidence that subordinate mice are more susceptible to pain-induced anxiety compared to dominant mice. We propose that the gut microbiota may play a mediating role in this mechanism. Our findings demonstrate that transplantation of fecal microbiota from subordinate mice with chronic inflammatory pain, but not dominant mice, into antibiotics-treated pseudo-germ-free mice significantly amplifies anxiety-like phenotypes, highlighting the critical involvement of gut microbiota in this behavioral response. Using chronic inflammatory pain model, we carried out 16S rRNA sequencing and untargeted metabolomic analyses to explore the relationship between microbiota and metabolites in a stable social hierarchy of mice. Interestingly, anxiety-like behaviors were directly associated with some microbial genera and metabolites, especially bile acid metabolism. Overall, we have demonstrated a close relationship between social status and anxiety susceptibility, highlighting the contributions of gut microbiota and the associated metabolites in the high-anxiety state of subordinate mice with chronic inflammatory pain.


Asunto(s)
Dolor Crónico , Microbioma Gastrointestinal , Ratones , Animales , Microbioma Gastrointestinal/genética , Depresión , ARN Ribosómico 16S , Jerarquia Social , Ansiedad
4.
Brain Behav Immun ; 115: 64-79, 2024 01.
Artículo en Inglés | MEDLINE | ID: mdl-37793489

RESUMEN

CD38 is involved in immune responses, cell proliferation, and has been identified in the brain, where it is implicated in inflammation processes and psychiatric disorders. We hypothesized that dysfunctional CD38 activity in the brain may contribute to the pathogenesis of depression. To investigate the underlying mechanisms, we used a lipopolysaccharide (LPS)-induced depression-like model and conducted behavioral tests, molecular and morphological methods, along with optogenetic techniques. We microinjected adeno-associated virus into the hippocampal CA3 region with stereotaxic instrumentation. Our results showed a marked increase in CD38 expression in both the hippocampus and cortex of LPS-treated mice. Additionally, pharmacological inhibition and genetic knockout of CD38 effectively alleviated neuroinflammation, microglia activation, synaptic defects, and Sirt1/STAT3 signaling, subsequently improving depression-like behaviors. Moreover, optogenetic activation of glutamatergic neurons of hippocampal CA3 reduced the susceptibility of mice to depression-like behaviors, accompanied by reduced CD38 expression. We also found that (R)-ketamine, which displayed antidepressant effects, was linked to its anti-inflammatory properties by suppressing increased CD38 expression and reversing synaptic defects. In conclusion, hippocampal CD38 is closely linked to depression-like behaviors in an inflammation model, highlighting its potential as a therapeutic target for antidepressant development.


Asunto(s)
ADP-Ribosil Ciclasa 1 , Depresión , Ketamina , Animales , Ratones , Antidepresivos/farmacología , Antidepresivos/uso terapéutico , Antidepresivos/metabolismo , Depresión/metabolismo , Hipocampo/metabolismo , Inflamación/metabolismo , Ketamina/farmacología , Ketamina/uso terapéutico , Ketamina/metabolismo , Lipopolisacáridos/farmacología , Lipopolisacáridos/metabolismo , ADP-Ribosil Ciclasa 1/metabolismo
5.
Mol Psychiatry ; 28(3): 1090-1100, 2023 03.
Artículo en Inglés | MEDLINE | ID: mdl-36642737

RESUMEN

Pain and anxiety comorbidities are a common health problem, but the neural mechanisms underlying comorbidity remain unclear. We propose that comorbidity implies that similar brain regions and neural circuits, with the lateral septum (LS) as a major candidate, process pain and anxiety. From results of behavioral and neurophysiological experiments combined with selective LS manipulation in mice, we find that LS GABAergic neurons were critical for both pain and anxiety. Selective activation of LS GABAergic neurons induced hyperalgesia and anxiety-like behaviors. In contrast, selective inhibition of LS GABAergic neurons reduced nocifensive withdrawal responses and anxiety-like behaviors. This was found in two mouse models, one for chronic inflammatory pain (induced by complete Freund's adjuvant) and one for anxiety (induced by chronic restraint stress). Additionally, using TetTag chemogenetics to functionally mark LS neurons, we found that activation of LS neurons by acute pain stimulation could induce anxiety-like behaviors and vice versa. Furthermore, we show that LS GABAergic projection to the lateral hypothalamus (LH) plays an important role in the regulation of pain and anxiety comorbidities. Our study revealed that LS GABAergic neurons, and especially the LSGABAergic-LH circuit, are a critical to the modulation of pain and anxiety comorbidities.


Asunto(s)
Dolor Crónico , Área Hipotalámica Lateral , Ratones , Animales , Área Hipotalámica Lateral/fisiología , Ansiedad , Comorbilidad , Neuronas GABAérgicas/fisiología
6.
Mol Psychiatry ; 2023 Oct 17.
Artículo en Inglés | MEDLINE | ID: mdl-37848708

RESUMEN

Ketamine exhibits rapid and sustained antidepressant effects. As decreased myelination has been linked to depression pathology, changes in myelination may be a pivotal mechanism underlying ketamine's long-lasting antidepressant effects. Although ketamine has a long-lasting facilitating effect on myelination, the precise roles of myelination in ketamine's sustained antidepressant effects remain unknown. In this study, we employed spatial transcriptomics (ST) to examine ketamine's lasting effects in the medial prefrontal cortex (mPFC) and hippocampus of mice subjected to chronic social defeat stress and identified several differentially expressed myelin-related genes. Ketamine's ability to restore impaired myelination in the brain by promoting the differentiation of oligodendrocyte precursor cells (OPCs) into mature oligodendrocytes was demonstrated. Moreover, we showed that inhibiting the expression of myelin-associated oligodendrocytic basic protein (Mobp) blocked ketamine's long-lasting antidepressant effects. We also illustrated that α-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid receptor (AMPAR) signaling mediated ketamine's facilitation on myelination. In addition, we found that the (R)-stereoisomer of ketamine showed stronger effects on myelination than (S)-ketamine, which may explain its longer-lasting antidepressant effects. These findings reveal novel mechanisms underlying the sustained antidepressant effects of ketamine and the differences in antidepressant effects between (R)-ketamine and (S)-ketamine, providing new insights into the role of myelination in antidepressant mechanisms.

7.
Nanotechnology ; 35(21)2024 Mar 07.
Artículo en Inglés | MEDLINE | ID: mdl-38377620

RESUMEN

Lithium-sulfur (Li-S) batteries exhibit a huge potential in energy storage devices for the thrilling theoretical energy density (2600 Wh kg-1). Nevertheless, the serious shuttle effect rooted in polysulfides and retardative hysteresis reaction kinetics results in inferior cycling and rate performances of Li-S batteries, impeding commercial applications. In order to further promote the energy storage abilities of Li-S batteries, a unique binder-free sulfur carrier consisting of SnS2-modified multi-hole carbon nanofibers (SnS2-MHCNFs) has been constructed, where MHCNFs can offer abundant space to accommodate high-level sulfur and SnS2can promote the adsorption and catalyst capability of polysulfides, synergistically promoting the lithium-ion storage performances of Li-S batteries. After sulfur loading (SnS2-MHCNFs@S), the material was directly applied as a cathode electrode of the Li-S battery. The SnS2-MHCNFs@S electrode maintained a good discharge capacity of 921 mAh g-1after 150 cycles when the current density was 0.1 C (1 C = 1675 mA g-1), outdistancing the MHCNFs@S (629 mAh g-1) and CNFs@S (249 mAh g-1) electrodes. Meanwhile, the SnS2-MHCNFs@S electrode still exhibited a discharge capacity of 444 mAh g-1at 2 C. The good performance of SnS2-MHCNFs@S electrode indicates that combining multihole structure designation and polar material modification are highly effective methods to boost the performances of Li-S batteries.

8.
Environ Res ; 252(Pt 3): 118936, 2024 Jul 01.
Artículo en Inglés | MEDLINE | ID: mdl-38657847

RESUMEN

Artificial forest restoration is widely recognized as a crucial approach to enhance the potential of soil carbon sequestration. Nevertheless, there is still limited understanding regarding the dynamics of aggregate organic carbon (OC) and the underlying mechanisms driving these dynamics after artificial forest restoration. To address this gap, we studied Pinus tabuliformis forests and adjacent farmland in three recovery periods (13, 24 and 33 years) in the Loess Plateau region. Samples of undisturbed soil from the surface layer were collected and divided into three aggregate sizes: >2 mm (large aggregate), 0.25-2 mm (medium aggregate), and <0.25 mm (small aggregate). The aim was to examine the distribution of OC and changes in enzyme activity within each aggregate size. The findings revealed a significant increase in OC content for all aggregate sizes following the restoration of Pinus tabuliformis forests. After 33 years of recovery, the OC of large aggregates, medium aggregates and micro-aggregates increased by (30.23 ± 9.85)%, (36.71 ± 21.60)% and (37.88 ± 16.07)% respectively compared with that of farmland. Moreover, the restoration of Pinus tabuliformis forests lead to increased activity of hydrolytic enzymes and decreased activity of oxidative enzymes. It is noteworthy that the regulation of carbon in all aggregates is influenced by soil P-limitation. In large aggregates, P-limitation promotes the enhancement of hydrolytic enzyme activity, thereby facilitate OC accumulation. Conversely, in medium and small aggregates, P-limitation inhibits the increase in oxidative enzyme activity, resulting in OC accumulation. The results emphasize the importance of P-limitation in regulating OC accumulation during the restoration of Pinus tabulaeformis forest, in which large aggregates play a leading role.


Asunto(s)
Carbono , Bosques , Pinus , Suelo , Suelo/química , Carbono/análisis , Carbono/metabolismo , Secuestro de Carbono , China
9.
Angew Chem Int Ed Engl ; 63(16): e202319320, 2024 Apr 15.
Artículo en Inglés | MEDLINE | ID: mdl-38238261

RESUMEN

The chemistry of hypercoordination has been a subject of fundamental interest, especially for understanding structures that challenge conventional wisdom. The small ionic radii of Fe ions typically result in coordination numbers of 4 or 6 in stable Fe-bearing ionic compounds. While 8-coordinated Fe has been observed in highly compressed oxides, the pursuit of hypercoordinated Fe still faces significant challenges due to the complexity of synthesizing the anticipated compound with another suitable anion. Through first-principles simulation and advanced crystal structure prediction methods, we predict that an orthorhombic phase of FeF3 with exclusively 8-coordinated Fe is energetically stable above 18 GPa-a pressure more feasibly achieved compared to oxides. Inspired by this theoretical result, we conducted extensive experiments using a laser-heated diamond anvil cell technique to investigate the crystal structures of FeF3 at high-pressure conditions. We successfully synthesized the predicted orthorhombic phase of FeF3 at 46 GPa, as confirmed by in situ experimental X-ray diffraction data. This work establishes a new ionic compound featuring rare 8-coordinated Fe in a simple binary Fe-bearing system and paves the way for discovering Fe hypercoordination in similar systems.

10.
Angew Chem Int Ed Engl ; : e202408874, 2024 Jul 07.
Artículo en Inglés | MEDLINE | ID: mdl-38972844

RESUMEN

Overcoming tumor apoptosis resistance is a major challenge in enhancing cancer therapy. Pyroptosis, a lytic form of programmed cell death (PCD) involving inflammasomes, Gasdermin family proteins, and cysteine proteases, offers potential in cancer treatment. While photodynamic therapy (PDT) can induce pyroptosis by generating reactive oxygen species (ROS) through the activation of photosensitizers (PSs), many PSs lack specific subcellular targets and are limited to the first near-infrared window, potentially reducing treatment effectiveness. Therefore, developing effective, deep-penetrating, organelle-targeted pyroptosis-mediated phototherapy is essential for cancer treatment strategies. Here, we synthesized four molecules with varying benzene ring numbers in thiopyrylium structures to preliminarily explore their photodynamic properties. The near-infrared-II (NIR-II) PS Z1, with a higher benzene ring count, exhibited superior ROS generation and mitochondria-targeting abilities, and a large Stokes shift. Through nano-precipitation method, Z1 nanoparticles (NPs) also demonstrated high ROS generation (especially type-I ROS) upon 808 nm laser irradiation, leading to efficient mitochondria dysfunction and combined pyroptosis and apoptosis. Moreover, they exhibited exceptional tumor-targeting ability via NIR-II fluorescence imaging (NIR-II FI) and photoacoustic imaging (PAI). Furthermore, Z1 NPs-mediated phototherapy effectively inhibited tumor growth with minimal adverse effects. Our findings offer a promising strategy for cancer therapy, warranting further preclinical investigations in PDT.

11.
J Am Chem Soc ; 145(13): 7495-7503, 2023 Apr 05.
Artículo en Inglés | MEDLINE | ID: mdl-36952630

RESUMEN

Understanding and controlling chirality in inorganic crystalline materials at the nanoscale is crucial in elucidating fundamental chirality-dependent physical and chemical processes as well as advancing new technological prospects, but significant challenges remain due to the lack of material control. Here, we have developed a facile and general bottom-up synthetic strategy for achieving chiral plasmonic Au nanostructures, including nanocubes and nanorods with fine chirality control. The underlying chiral mechanism enabled by the chiral boundary morphology is substantiated by theoretical modeling and finite element method (FEM) simulation. Because of the robustness of induced handedness and their small size, these as-synthesized chiral nanostructures can be further employed as building blocks toward the formation of complex chiral nanostructures. We have demonstrated a new class of chiral hybrid metal-semiconductor nanostructures that can allow integration of chirality with other properties and functionalities. All of these together have paved the way to engineer nanoscale inorganic chirality and thus study various emerging chirality-entangled effects with practical technological applications.

12.
Mol Med ; 29(1): 168, 2023 Dec 13.
Artículo en Inglés | MEDLINE | ID: mdl-38093172

RESUMEN

BACKGROUND: Shenqi Compound (SQC) has been used in clinic for several decades in the prevention and treatment of diabetes and its complications. But this is merely a heritage of experience. The primary aim of this study is to scientifically validate the therapeutic effects of SQC on diabetic vascular calcification (DVC) in an animal model and, simultaneously, uncover its potential underlying mechanisms. METHOD: Spontaneous diabetic rat- Goto Kakizaki (GK) rats were selected for rat modeling. We meticulously designed three distinct groups: a control group, a model group, and an SQC treatment group to rigorously evaluate the influence of SQC. Utilizing a comprehensive approach that encompassed methods such as pathological staining, western blot analysis, qRT-PCR, and RNA sequencing, we thoroughly investigated the therapeutic advantages and the underlying mechanistic pathways associated with SQC in the treatment of DVC. RESULT: The findings from this investigation have unveiled the extraordinary efficacy of SQC treatment in significantly mitigating DVC. The underlying mechanisms driving this effect encompass multifaceted facets, including the restoration of aberrant glucose and lipid metabolism, the prevention of phenotypic transformation of vascular smooth muscle cells (VSMCs) into osteogenic-like states, the subsequent inhibition of cell apoptosis, the modulation of inflammation responses, the remodeling of the extracellular matrix (ECM), and the activation of the Hippo-YAP signaling pathway. Collectively, these mechanisms lead to the dissolution of deposited calcium salts, ultimately achieving the desired inhibition of DVC. CONCLUSION: Our study has provided compelling and robust evidence of the remarkable efficacy of SQC treatment in significantly reducing DVC. This reduction is attributed to a multifaceted interplay of mechanisms, each playing a crucial role in the observed therapeutic effects. Notably, our findings illuminate prospective directions for further research and potential clinical applications in the field of cardiovascular health.


Asunto(s)
Diabetes Mellitus Tipo 2 , Medicamentos Herbarios Chinos , Calcificación Vascular , Ratas , Animales , Estudios Prospectivos , Medicamentos Herbarios Chinos/farmacología , Medicamentos Herbarios Chinos/uso terapéutico , Diabetes Mellitus Tipo 2/metabolismo , Calcificación Vascular/tratamiento farmacológico , Calcificación Vascular/complicaciones , Calcificación Vascular/metabolismo , Miocitos del Músculo Liso/metabolismo
13.
J Transl Med ; 21(1): 71, 2023 02 02.
Artículo en Inglés | MEDLINE | ID: mdl-36732752

RESUMEN

BACKGROUND: Patients suffering from chronic pain often also exhibit depression symptoms. Soluble epoxide hydrolase (sEH) inhibitors can decrease blood levels of inflammatory cytokines. However, whether inhibiting sEH signaling is beneficial for the comorbidity of pain and depression is unknown. METHODS: According to a sucrose preference test (SPT), spared nerve injury (SNI) mice were classified into pain with or without an anhedonia phenotype. Then, sEH protein expression and inflammatory cytokines were assessed in selected tissues. Furthermore, we used sEH inhibitor TPPU to determine the role of sEH in chronic pain and depression. Importantly, agonists and antagonists of aryl hydrocarbon receptor (AHR) and translocator protein (TSPO) were used to explore the pathogenesis of sEH signaling. RESULTS: In anhedonia-susceptible mice, the tissue levels of sEH were significantly increased in the medial prefrontal cortex (mPFC), hippocampus, spinal cord, liver, kidney, and gut. Importantly, serum CYP1A1 and inflammatory cytokines, such as interleukin 1ß (IL-1ß) and the tumor necrosis factor α (TNF-α), were increased simultaneously. TPPU improved the scores of mechanical withdrawal threshold (MWT) and SPT, and decreased the levels of serum CYP1A1 and inflammatory cytokines. AHR antagonist relieved the anhedonia behaviors but not the algesia behaviors in anhedonia-susceptible mice, whereas an AHR agonist abolished the antidepressant-like effect of TPPU. In addition, a TSPO agonist exerted a similar therapeutic effect to that of TPPU, whereas pretreatment with a TSPO antagonist abolished the antidepressant-like and analgesic effects of TPPU. CONCLUSIONS: sEH underlies the mechanisms of the comorbidity of chronic pain and depression and that TPPU exerts a beneficial effect on anhedonia behaviors in a pain model via AHR and TSPO signaling.


Asunto(s)
Dolor Crónico , Depresión , Animales , Ratones , Anhedonia , Antidepresivos , Dolor Crónico/complicaciones , Dolor Crónico/tratamiento farmacológico , Comorbilidad , Citocromo P-450 CYP1A1 , Citocinas/metabolismo , Depresión/complicaciones , Depresión/tratamiento farmacológico , Epóxido Hidrolasas/genética , Epóxido Hidrolasas/metabolismo , Compuestos de Fenilurea/farmacología , Compuestos de Fenilurea/uso terapéutico , Receptores de Hidrocarburo de Aril , Receptores Citoplasmáticos y Nucleares
14.
Phys Rev Lett ; 130(26): 266001, 2023 Jun 30.
Artículo en Inglés | MEDLINE | ID: mdl-37450815

RESUMEN

The search for high-temperature superconducting superhydrides has recently moved into a new phase by going beyond extensively probed binary compounds and focusing on ternary ones with vastly expanded material types and configurations for property optimization. Theoretical and experimental works have revealed promising ternary compounds that superconduct at or above room temperature, but it remains a pressing challenge to synthesize stoichiometric ternary compounds with a well-resolved crystal structure that can host high-temperature superconductivity at submegabar pressures. Here, we report on the successful synthesis of ternary LaBeH_{8} obtained via compression in a diamond anvil cell under 110-130 GPa. X-ray diffraction unveils a rocksalt-like structure composing La and BeH_{8} units in the lattice. Transport measurements determined superconductivity with critical temperature T_{c} up to 110 K at 80 GPa, as evidenced by a sharp drop of resistivity to zero and a characteristic shift of T_{c} driven by a magnetic field. Our experiment establishes the first superconductive ternary compound with a resolved crystal structure. These findings raise the prospects of rational development of the class of high-T_{c} superhydrides among ternary compounds, opening greatly expanded and more diverse structural space for exploration and discovery of superhydrides with enhanced high-T_{c} superconductivity.


Asunto(s)
Diamante , Superconductividad , Temperatura , Campos Magnéticos , Presión
15.
J Cardiovasc Pharmacol ; 81(4): 300-316, 2023 04 01.
Artículo en Inglés | MEDLINE | ID: mdl-36701487

RESUMEN

ABSTRACT: Vascular endothelial cells, which make up the inner wall of blood arteries, are susceptible to damage from oxidative stress and apoptosis caused by hyperglycemia. According to certain reports, noncoding RNAs are involved in controlling oxidative stress and apoptosis. ShenQi Compound (SQC), a traditional herbal remedy, has been successfully treating diabetic vascular disease in China for more than 20 years. Although it is well established that SQC protects the vascular endothelium, the molecular mechanism remains unknown. Goto-Kakizaki rats, spontaneous type II diabetes rats, that consistently consume a high-fat diet were chosen as model animals. Six groups (control group, model group, metformin group, and 7.2 g/kg/d SQC group, 14.4 g/kg/d SQC group, and 28.8 g/kg/d SQC group) were included in this work, 15 rats each group. The approach of administration was gavage, and the same volume (5.0 mL/kg/d) was given in each group, once a day, 12 weeks. The thoracic aortas were removed after the rats were sacrificed. Oxidative reduction profile in thoracic aorta, histopathological observation of thoracic aorta, endothelial cell apoptosis in thoracic aorta, whole transcriptome sequencing, bioinformatic analyses, and qRT-PCR were conducted. As a result, SQC prevented the oxidative stress and apoptosis induced by a high glucose concentration. Under hyperglycemia condition, noncoding RNAs, including 1 downregulated novel circRNA (circRNA.3121), 3 downregulated lncRNAs (Skil.cSep08, Shawso.aSep08-unspliced, and MSTRG.164.2), and 1 upregulated mRNA (Pcdh17), were clearly reverse regulated by SQC. SQC plays a role in protecting vascular endothelial cells from high glucose mainly by mediating ncRNA to inhibit cell apoptosis and oxidative stress.


Asunto(s)
Diabetes Mellitus Tipo 2 , Hiperglucemia , ARN Largo no Codificante , Ratas , Animales , ARN Largo no Codificante/genética , ARN Circular , ARN Mensajero/genética , Células Endoteliales , Secuenciación del Exoma , Glucosa
16.
Phys Chem Chem Phys ; 25(27): 18062-18066, 2023 Jul 12.
Artículo en Inglés | MEDLINE | ID: mdl-37378891

RESUMEN

Due to their abundant valence electrons and unique electronic properties, transition metals have garnered great interest in the search for novel materials displaying various properties, including superconductivity, catalysis and so on. XRu2 (X: V, Mn, Fe, etc.) compounds, which are isostructural to AlB2, were used as examples for which we performed extensive simulations to screen for superconductivity and possible potential catalytic activity. On this basis, we found that VRu2 could achieve a superconducting critical temperature (Tc) of about 13 K. Meanwhile, our simulations showed the lowest adsorption free energy of atomic hydrogen (ΔGH) on the (0 0 1) surface of VRu2 to be about 2 meV, indicating its almost zero free energy of hydrogen adsorption with excellent catalytic performance. In addition, the results suggested potential superconducting and catalytic properties of VXRu (X = Os, Fe). Our current results have shed light on possible applications of Ru-based AlB2-type intermetallic compounds and have presented a new strategy for further designing superconductors and catalysts based on transition metals.

17.
J Chem Phys ; 159(23)2023 Dec 21.
Artículo en Inglés | MEDLINE | ID: mdl-38126624

RESUMEN

Boron-based compounds have triggered substantial attention due to their multifunctional properties, incorporating excellent hardness and superconductivity. While tetragonal metal borides LiB4 and NaB4 with BaAl4-type structure and striking clathrate boron motif have been induced under compression, there is still a lack of deep understanding of their potential properties at ambient pressure. We herein conduct a comprehensive study on I4/mmm-structured LiB4 and NaB4 under ambient pressure via first-principles calculations. Remarkably, both LiB4 and NaB4 are found to possess high Vickers hardness of 39 GPa, which is ascribed to the robust boron framework with strong covalency. Furthermore, their high hardness values together with distinguished stability make them highly potential superhard materials. Meanwhile, electron-phonon coupling analysis reveals that both LiB4 and NaB4 are conventional phonon-mediated superconductors, with critical temperatures of 6 and 8 K at 1 atmosphere pressure (atm), respectively, mainly arising from the coupling of B 2p electronic states and the low-frequency phonon modes associated with Li-, Na-, and B-derived vibrations. This work provides valuable insights into the mechanical and superconducting behaviors of metal borides and will boost further studies of emergent borides with multiple functionalities.

18.
Proc Natl Acad Sci U S A ; 117(11): 5638-5643, 2020 Mar 17.
Artículo en Inglés | MEDLINE | ID: mdl-32127483

RESUMEN

The anomalous nondipolar and nonaxisymmetric magnetic fields of Uranus and Neptune have long challenged conventional views of planetary dynamos. A thin-shell dynamo conjecture captures the observed phenomena but leaves unexplained the fundamental material basis and underlying mechanism. Here we report extensive quantum-mechanical calculations of polymorphism in the hydrogen-oxygen system at the pressures and temperatures of the deep interiors of these ice giant planets (to >600 GPa and 7,000 K). The results reveal the surprising stability of solid and fluid trihydrogen oxide (H3O) at these extreme conditions. Fluid H3O is metallic and calculated to be stable near the cores of Uranus and Neptune. As a convecting fluid, the material could give rise to the magnetic field consistent with the thin-shell dynamo model proposed for these planets. H3O could also be a major component in both solid and superionic forms in other (e.g., nonconvecting) layers. The results thus provide a materials basis for understanding the enigmatic magnetic-field anomalies and other aspects of the interiors of Uranus and Neptune. These findings have direct implications for the internal structure, composition, and dynamos of related exoplanets.

19.
J Integr Neurosci ; 22(6): 140, 2023 Oct 23.
Artículo en Inglés | MEDLINE | ID: mdl-38176917

RESUMEN

BACKGROUND: Perioperative neurocognitive disorder (PND) is a general term for cognitive impairment that negatively affects multiple domains, including memory, concentration, and physical functioning. Numerous articles have been published on PND; however, only a few quantitative analyses covering this disorder have been published. METHODS AND MATERIALS: To clarify PND's developmental history, research foci, and future directions, we conducted a bibliometric analysis using the bibliometric tools VOSviewer and CiteSpace. A total of 4704 publications were obtained from the Web of Science database, including annual publications and trends, keywords, institutions, journals, and collaboration between countries/regions and authors. RESULTS: In addition, we found that neuroinflammation is a hotspot in recent studies. CONCLUSIONS: This bibliometric analysis provides a broad overview of studies in the field of PND.


Asunto(s)
Bibliometría , Disfunción Cognitiva , Trastornos Neurocognitivos , Humanos
20.
Nano Lett ; 22(9): 3691-3698, 2022 05 11.
Artículo en Inglés | MEDLINE | ID: mdl-35451303

RESUMEN

Synthetic polymer-derived hollow carbon spheres have great utilitarian value in many fields for which the synthesis of proper polymer precursors is a key process. The exploration of new suitable polymer precursors and the construction of refined hollow structures in emerging polymers are both of great significance for synthetic methodology and novel carbon materials. Here, for the first time Schiff base polymer (SBP) colloid spheres with refined hollow structures were synthesized by tandem gradient growth and confined polymerization processes. The Hill equation was employed as a mathematical model to explain the gradient growth of SBP spheres. The size-dependent inner structure of SBP spheres can be adjusted from hollow to multichamber-surrounded hollow, and then to a multichamber structure. SBP-derived carbon spheres having similar surface area and chemical composition but different inner structures provide an effective way to investigate the relationship between inner structure and performance.


Asunto(s)
Carbono , Polímeros , Carbono/química , Microesferas , Polimerizacion , Polímeros/química , Bases de Schiff
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