Unveiling the Role of Water on π-π Stacking Through Microwave Spectroscopy of (Thiophene)2-(Water)1-2 Clusters.

There has been an ongoing debate about whether water enhances or hinders π-π stacking, a phenomenon crucial in various biological and chemical systems. In this study, the influence of water on π-π stacking is investigated by microwave spectroscopic observation of gas-phase hydrated clusters of thiophene dimers. Two isomers of (C4H4S)2-H2O and two isomers of (C4H4S)2-(H2O)2 have been unambiguously identified. These identifications are supported by quantum chemistry calculations and isotopic measurements. In each of these conformations, water molecules are situated between aromatic pairs, forming distinctive interactions. Water molecules engage with thiophene molecules either as hydrogen bond donors through OH···π interactions or as hydrogen bond acceptors through CH···O interactions. The energy decomposition analysis indicates that the bonding pattern of water molecules significantly affects the π···π interactions between aromatic rings. These findings offer valuable structural insights into the role of water in shaping π-π stacking.

A rotational spectroscopy study of microsolvation effects on intramolecular proton transfer in trifluoroacetylacetone-(H2O)1-3.

Trifluoroacetylacetone (TFAA) has two enol forms, which can switch to each other via proton transfer. While much attention has been paid to their conformational preferences, the influence of microsolvation on regulating the proton position remains unexplored. Herein, we report the rotational spectra of trifluoroacetylacetone-(water)n (n = 1-3) investigated by chirped pulse Fourier transform microwave spectroscopy in the 2-8 GHz frequency range. Two conformers were identified for both TFAA-H2O and TFAA-(H2O)2, while only one conformer was characterized for TFAA-(H2O)3. The results indicate that water binding on the CH3 side stabilizes the enolF form, whereas water binding on the CF3 side stabilizes the enolH form. The enolF form predominates over the enolH form in these hydrated complexes, which contrasts with the fact that only enolH exists in isolated TFAA. EnolH becomes preferred only when water inserts itself into the intramolecular hydrogen bond. Instanton theory calculations reveal that the proton transfer reaction is dominated by quantum tunneling at low temperatures, leading to the stable existence of only one enol form in each configuration of the hydrated clusters.

Neutral Boryl Radicals in Mixed-Valent B(III) Br-B(II) Adducts.

The general strategies to stabilize a boryl radical involve single electron delocalization by π-system and the steric hinderance from bulky groups. Herein, a new class of boryl radicals is reported, with intramolecular mixed-valent B(III) Br-B(II) adducts ligated by a cyclic (alkyl)(amino)carbene (CAAC). The radicals feature a large spin density on the boron center, which is ascertained by EPR spectroscopy and DFT calculations. Structural and computational analyses revealed that the stability of radical species was assisted by the CAAC ligand and a weak but significant B(III)Br-B(II) interaction, suggesting a cooperative avenue for stabilization of boryl radicals. Two-electron reduction of these new boryl radicals provides C-H insertion products via a borylene intermediate.

Sulfite Poses a Risk of Hexavalent Chromium Rebound in Vadose Zone: A Challenge of the Stability of CrxFe1-x(OH)3.

Cr(VI) rebound is the primary risk associated with the reduction remediation of Cr(VI)-contaminated soil. The potential impact of sulfites, which can be produced by microbial activities or originate from sulfur-containing remediation agents, on the Cr(VI) rebound in the vadose zone has been overlooked. When sulfites are present, the stability of CrxFe1-x(OH)3 is compromised and significantly inferior to that of Cr(OH)3, as demonstrated in this paper. First, Fe acts as a catalyst for the conversion of adsorbed sulfite to SO4·-, which subsequently triggers the oxidation of Cr(III) and results in the rebound of Cr(VI). The heterogeneous catalysis by Fe on the surface of CrxFe1-x(OH)3 plays a predominant role, contributing to 78% of the actual oxidation of Cr(III) among all employed catalytic processes. The presence of ambient Cl- can exacerbate the rebound effect of Cr(VI) by promoting the generation of HOCl. Furthermore, a portion of released Cr(VI) was reduced to Cr(III) by dissolved sulfite in the presence of dissolved Fe as a catalyst, thereby increasing the dissolution and migration risk associated with CrxFe1-x(OH)3. Hence, the presence of sulfites results in a significant increase in the Cr(VI) rebound and Cr(III) release from CrxFe1-x(OH)3. This challenges the conventional understanding of the stability of CrxFe1-x(OH)3.

Ectopic eruption of the first permanent molar: Predictive factors for irreversible outcome.

INTRODUCTION: The present study aimed to analyze possible factors involved in irreversible (IRR) ectopic eruption (EE) of the first permanent molar and explore potential predictors for the IRR outcome. METHODS: Children aged 4-11 years, with at least 1 EE and who took their first panoramic radiograph before the age of 8 years, were selected in this study. The subjects were assigned to the self-correcting (SC) and IRR groups. Patients' age, sex, distribution of EE, and accompanying dental anomalies were recorded. Eruptive angulation (EA) of the first permanent molar, the grade of root resorption in the second deciduous molar, the magnitude of impaction index (MOII), and horizontal distance were measured on the panoramic radiographs. Chi-square tests and independent-sample t test were used for nominal and continuous variables, respectively. The receiver operative characteristic curve was used to determine the critical value. RESULTS: A total of 406 children with 634 first permanent molars, presenting EE, were enrolled, with 61.3% of the teeth in the SC group. Sex of children with EE and distribution of EE were not relevant to the IRR outcome. The presence of supernumerary teeth might be a protective factor for the IRR outcome. The increasing severity of root resorption in the second primary molar indicated an IRR outcome. A higher MOII and a larger EA suggested an IRR outcome with moderate-to-high quality. The horizontal distance exhibited debatable results, with a low predictive quality. CONCLUSION: Close monitoring and early intervention would benefit children with increasing severity of distal atypical resorption in the second primary molar, higher MOII, and larger EA.

PALLD Regulates Phagocytosis by Enabling Timely Actin Polymerization and Depolymerization.

PALLD is an actin cross-linker supporting cellular mechanical tension. However, its involvement in the regulation of phagocytosis, a cellular activity essential for innate immunity and physiological tissue turnover, is unclear. We report that PALLD is highly induced along with all-trans-retinoic acid-induced maturation of myeloid leukemia cells, to promote Ig- or complement-opsonized phagocytosis. PALLD mechanistically facilitates phagocytic receptor clustering by regulating actin polymerization and c-Src dynamic activation during particle binding and early phagosome formation. PALLD is also required at the nascent phagosome to recruit phosphatase oculocerebrorenal syndrome of Lowe, which regulates phosphatidylinositol-4,5-bisphosphate hydrolysis and actin depolymerization to complete phagosome closure. Collectively, our results show a new function for PALLD as a crucial regulator of the early phase of phagocytosis by elaborating dynamic actin polymerization and depolymerization.

Clinical evidence of photobiomodulation therapy (PBMT) on implant stability and success: a systematic review and meta-analysis.

BACKGROUND: Photobiomodulation therapy (PBMT), a type of light therapy that uses the concept of photobiomodulation, is developed to promote bone healing. Clinical studies have been conducted to assess the influence of PBMT on dental implant stability and success rate. This is the first systematic review and meta-analysis to assess the effect of PBMT and methodological quality of these studies on implants in human clinical trials. METHODS: An electronic search was performed in Pubmed, Embase, and the Cochrane Controlled Register of Trials (CENTRAL). RESULTS: Initially, 675 articles were identified, among which only 8 met the inclusion criteria. Four of the 8 studies presented a low risk of bias, whereas the other 4 were of moderate risk. Our review focused on implant success rates and implant stability measured at days 0 and 10, and at 3, 4, 6, and 12 weeks. No significant differences were observed between the PBMT group and the control group regarding implant stability or success rate. CONCLUSIONS: The existing clinical studies did not provide sufficient evidence to observe positive effects of PBMT on implants in patients. An increased number of high-quality clinical randomized controlled trials (RCTs) are required to verify the data and to draw convincing conclusions.

Materials for pulpotomy in immature permanent teeth: a systematic review and meta-analysis.

BACKGROUND: Pulpotomy is one of the most widely used methods in preserving vital pulp in teeth, which is of great significance in achieving continue root formation in immature permanent teeth suffering from dental caries or trauma. The aim of this meta-analysis and systemic review is to synthesize the available evidences to compare different pulpotomy dressing agents for pulpotomy treatment in immature permanent teeth. METHODS: Electronic databases including MEDLINE (via Pubmed), EMBASE, the Cochrane library (CENTRAL) and the clinicaltrials.gov database were searched. The references of all included articles or relevant reviews were cross-checked. Only randomized controlled trials (RCTs) comparing two or more pulp dressing agent in permanent teeth with open apex would be included. Also, the studies should have at least 6 months of follow-up, report clinical and radiographic success in detail and publish in English. RESULTS: Five RCTs were included for a systematic review, and all of them had a high risk of bias. There is little difference in success rate between mineral trioxide aggregate (MTA) and calcium hydroxide (CH) at 6-month follow-up (risk ratio (RR) 1; 95% confidence interval (CI) 0.94 to 1.06) and 12-month follow-up (RR 1.04; 95% CI 0.96 to 1.13). There is no difference between MTA versus platelet-rich fibrin and MTA versus calcium-enriched mixture (CEM). There is only weak evidence of increased success rate in using MTA and triple antibiotic paste (TAP) rather than abscess remedy. CONCLUSIONS: Based on the present evidence, similar success rates with MTA were found between the dressing agents CH, CEM, RPF and TAP as pulpotomy-dressing agents in the treatment of immature permanent teeth. More high-quality RCTs are needed in this field in future studies.

Expression of Sam68 Associates with Neuronal Apoptosis and Reactive Astrocytes After Spinal Cord Injury.

Src-associated in mitosis (Sam68; 68 kDa) is a novel RNA-binding protein that belongs to the signal transduction and activation of RNA family involved in various biological processes. However, the expression and roles of Sam68 in the central nervous system remain unknown. In the present study, we performed a spinal cord injury (SCI) model in adult rats and found a significant increase of Sam68 protein levels in this model, which reached a peak at day 3 and then gradually returned to normal levels at day 14 after SCI. We use immunohistochemistry analysis revealing a widespread distribution of Sam68 in the spinal cord. In addition, double-immunofluorescence staining showed that Sam68 immunoreactivity was found predominantly in neurons and astrocytes. Moreover, colocalization of Sam68/active caspase-3 has been respectively detected in neuronal nuclei, and colocalization of Sam68/PCNA has been detected in glial fibrillary acidic protein. In vitro, we found that depletion of Sam68 by short interfering RNA inhibits neuronal apoptosis and astrocyte proliferation and decreases cyclin D1 protein levels. In conclusion, this is the first study to find the Sam68 expression in SCI. Our results suggest that Sam68 might be illustrated in the apoptosis of neurons and proliferation of astrocytes after SCI. This research will provide new drug targets for clinical treatment of SCI.

PRDM5 Expression and Essential Role After Acute Spinal Cord Injury in Adult Rat.

PR (PRDI-BF1 and RIZ) domain proteins (PRDM) are a subfamily of the kruppel-like zinc finger gene products that modulate cellular processes such as differentiation, cell growth and apoptosis. PRDM5 is a recently identified family member that functions as a transcriptional repressor and behaves as a putative tumor suppressor in different types of cancer. However, the expression and function of PRDM5 in spinal cord injury (SCI) are still unknown. In the present study, we have performed an acute SCI model in adult rats and investigated the dynamic changes of PRDM5 expression in the spinal cord. We found that PRDM5 protein levels gradually increased, reaching a peak at day 5 and then gradually declined to a normal level at day 14 after SCI with Western blot analysis. Double immunofluorescence staining showed that PRDM5 immunoreactivity was found in neurons, astrocytes and microglia. However, the expression of PRDM5 was increased predominantly in neurons. Additionally, colocalization of PRDM5/active caspase-3 was been respectively detected in neurons. In vitro, we found that depletion of PRDM5 by short interfering RNA, obviously decreases neuronal apoptosis. In summary, this is the first description of PRDM5 expression in SCI. Our results suggested that PRDM5 might play crucial roles in CNS pathophysiology after SCI and this research will provide new drug targets for clinical treatment of SCI.

PCBP2 Modulates Neural Apoptosis and Astrocyte Proliferation After Spinal Cord Injury.

PCBP2, a member of the poly(C)-binding protein (PCBP) family, plays a pivotal role in posttranscriptional and translational regulation by interacting with single-stranded poly(C) motifs in target mRNAs. It is reported that several PCBP family members are involved in human malignancies. However, the distribution and function of PCBP2 in the central nervous system (CNS) remain unclear. In this study, we performed an acute spinal cord injury (SCI) model in adult rats and investigated the dynamic changes of PCBP2 expression in the spinal cord. Western blot and immunohistochemistry analysis revealed that PCBP2 presented in normal spinal cord. It gradually increased, reached a peak at 3 day, and then declined to basal levels at 14 days after SCI. We observed that the expression of PCBP2 was enhanced in the gray and white matter. Immunofluorescence indicated that PCBP2 was located in the neurons and astrocytes. Moreover, colocalization of PCBP2/active caspase-3 was detected in neurons, and colocalization of PCBP2/proliferating cell nuclear antigen was detected in astrocytes after SCI. These results indicated that PCBP2 might play an important role in neuronal apoptosis and astrocyte proliferation. In vitro, PCBP2-specific siRNA-transfected neuron showed significantly decrease of neuronal apoptosis and expression of cell cycle related proteins following glutamate stimulation. Meanwhile, PCBP2 knockdown also reduced primary astrocytes proliferation. All above indicated that PCBP2 might play a crucial role in cell proliferation and apoptosis. Collectively, our data suggested that PCBP2 might play important roles in CNS pathophysiology after SCI.

Spatiotemporal Expression of EAPP Modulates Neuronal Apoptosis and Reactive Astrogliosis After Spinal Cord Injury.

E2F-associated phosphoprotein (EAPP) is a novel E2F binding protein that interacts with the activating members of the E2F transcription factors family and involved in various biological processes. However, the expression and function of EAPP in central nervous system (CNS) are still unknown. In this study, we performed an acute spinal cord injury (SCI) model in adult rats, we found that EAPP protein levels were significantly increased and reached a peak at day 3, and then gradually returned to normal level at day 14 after spinal cord injury and we observed that the expression of EAPP is enhanced in the gray and white matter. Spatially, increased levels of EAPP were striking in neurons and astrocytes. Moreover, colocalization of EAPP/active caspase-3 was detected in neurons, and colocalization of EAPP/proliferating cell nuclear antigen (PCNA) was detected in astrocytes after spinal cord injury. These results indicated that EAPP might play an important role in neuronal apoptosis and reactive astrogliosis. Furthermore in vitro, EAPP depletion by siRNA inhibited astrocyte proliferation, migration and CDK4/cyclinD1 expression. Meanwhile, EAPP knockdown also reduce neuronal apoptosis and cell cycle related proteins. Which indicated that EAPP might integrate cell cycle progression and play a crucial role in cell proliferation and apoptosis. Taken together, we speculated that EAPP was involved in biochemical and physiological responses after SCI.

Tunable band-notched coplanar waveguide based on localized spoof surface plasmons.

This Letter proposes a simple band-notched coplanar waveguide (BNCPW), which consists of a coplanar waveguide (CPW) and an ultra-thin periodic corrugated metallic strip that supports spoof surface plasmon polaritons (SSPPs) with defect units on the back of the substrate. By introducing a defect unit or multiple defect units into the strip, a narrow stopband or multiple narrow stopbands would be generated flexibly and conveniently. The band-notch function is based on the idea that a defect mode, which exists in the bandgap between the fundamental and the first higher mode of the SSPPs, can be introduced to form a stopband. Thus, the SSPPs field is localized around the defect units, which is another form of localized spoof surface plasmons (LSSPs). By properly tuning the dimensions of each defect unit, the absorption level and center frequency of the stopband could be adjusted independently. We offer theoretical analysis and experimental results to validate our idea and design. In this framework, a variety of band-notched devices and antennas in the microwave and terahertz (THz) frequencies can be easily designed without additional band-stop filters.

Up-Regulation of CCT8 Related to Neuronal Apoptosis after Traumatic Brain Injury in Adult Rats.

Traumatic brain injury (TBI) initiates a series of neurochemical and signaling changes that could eventually lead to neuronal apoptosis. Recent studies indicated that mature neurons cell cycle re-enter played a crucial role in neuronal apoptosis. In this study, we identified that the chaperonin containing TCP-1, subunit 8 (CCT8), as a member of class II chaperonins, was significantly upregulated following TBI. Moreover, double immunofluorescence staining revealed that CCT8 was co-expressed with neuronal nuclei (NeuN). Besides, co-localization of CCT8/active caspase 3 was detected in NeuN. We also examined the expression profiles of active caspase 3 whose changes were correlated with the expression of CCT8. All our findings suggested that CCT8 might be involved in the pathophysiology of brain after TBI.

Insights into chemical components, health-promoting effects, and processing impact of golden chanterelle mushroom Cantharellus cibarius.

Cantharellus cibarius (CC) is a culinary mushroom with significant commercial potential due to its diverse components and bioactive functions. CC is rich in carbohydrates, proteins, minerals, vitamins, and aroma compounds while being low in fat and calories. Moreover, CC contains an abundance of bioactive substances including phenolic compounds, vitamin precursors, and indole derivatives. Numerous studies have claimed that CC has diverse functions such as antioxidant, antimicrobial, immunoregulation, anti-inflammatory, antitumor, neuroprotective, antidiabetic, and prebiotic effects in in vivo or in vitro settings. In addition, a variety of thermal, physical, chemical, and biological treatment methods have been investigated for the processing and preservation of CC. Consequently, this study aims to present a comprehensive review of the chemical composition, health benefits, and processing techniques of CC. Furthermore, the issue of heavy metal accumulation in CC has been indicated and discussed. The study highlights the potential of CC as a functional food in the future while providing valuable insights for future research and identifying areas requiring further investigation.

SLC16A3 is a Prognostic Marker and Affects Immune Regulation in Bladder Cancer.

BACKGROUND: Overexpression of SLC16A3 can contribute to the development of various tumors by regulating metabolism, but a systematic analysis of SLC16A3 in bladder cancer (BC) has been rarely reported. METHODS: We used the BC datasets from public databases to investigate SLC16A3 expression in BC. We first analysed the relationship between SLC16A3 expression and clinical characteristics of 412 bladder cancer patients. After that, gene function analyses and immunocorrelation analyses of SLC16A3 were conducted with the R package. For immunotherapy effect and drug sensitivity analysis, we also used the R package. We also analysed the relation between SLC16A3 expression and 20 m6A modification key genes. Finally, we determined the expression localization of SLC16A3 in bladder cancer by single-cell sequencing analysis using 3,115 BC cells. We further detected the expression of SLC16A3/MCT4 on BC samples by reversed transcriptionquantitative polymerase chain reaction and immunohistochemistry. RESULTS: The SLC16A3 was overexpressed in BC cells, including epithelial cells (p＜0.001). The high SLC16A3 expression level of patients with BC was significantly related to poor prognosis (p＝0.044), and we established a reliable prognosis model for BC patients. Statistically significant associations between SLC16A3 and m6A modification (ALKBH5) gene (p＜0.001), key genes in aerobic glycolysis, M2 macrophage infiltration (p＝0.0058), and immune checkpoint regulation were observed. CONCLUSION: Overexpression of SLC16A3 is an independent prognostic factor in patients with BC. SLC16A3 may influence the immune infiltration of BC by regulating BC metabolism and m6A methylation, which ultimately can lead to the progress of BC. For the detection and therapy of BC, SLC16A3 may be a potent therapeutic target for BC.

Enhancing the Carrier Mobility and Bias Stability in Metal-Oxide Thin Film Transistors with Bilayer InSnO/a-InGaZnO Heterojunction Structure.

In this study, the electrical performance and bias stability of InSnO/a-InGaZnO (ITO/a-IGZO) heterojunction thin-film transistors (TFTs) are investigated. Compared to a-IGZO TFTs, the mobility (µFE) and bias stability of ITO/a-IGZO heterojunction TFTs are enhanced. The band alignment of the ITO/a-IGZO heterojunction is analyzed by using X-ray photoelectron spectroscopy (XPS). A conduction band offset (∆EC) of 0.5 eV is observed in the ITO/a-IGZO heterojunction, resulting in electron accumulation in the formed potential well. Meanwhile, the ∆EC of the ITO/a-IGZO heterojunction can be modulated by nitrogen doping ITO (ITON), which can affect the carrier confinement and transport properties at the ITO/a-IGZO heterojunction interface. Moreover, the carrier concentration distribution at the ITO/a-IGZO heterointerface is extracted by means of TCAD silvaco 2018 simulation, which is beneficial for enhancing the electrical performance of ITO/a-IGZO heterojunction TFTs.

A dataset describing chip parameters for rock breaking by chisel pick under deep-sea hydrostatic pressure.

Chip is a visual representation of rock breaking by cutter, and their related parameters are crucial for revealing the rock breaking mechanism in deep-sea mining. Based on sieving and three-dimensional size measurement methods widely used in mining engineering, this paper reports a dataset of chip parameters for rock breaking by chisel pick under deep-sea hydrostatic pressure. Specifically, we first designed an experimental setup that can accurately simulate deep-sea hydrostatic pressure, conducted rock breaking experiments and carefully collected chips. Subsequently, those chips were sieved, high-resolution images were collected, and the coarseness index (CI), chip size uniformity (n), absolute chip size (de), and fractal dimension (D) were measured. Finally, three-dimensional size (long, intermediate and short) was measured for 3064 chips with particle sizes greater than 4.75 mm. This dataset will be used by researchers to validate numerical simulations or optimize equipment structures related to deep-sea mining, including deep-sea rock mechanics, mining cutter and conveyor pipes.

Ectopic eruption of maxillary first permanent molars: Risk factors and association with alveolar and maxillary characteristics on children.

Background/purpose: The etiology of the ectopic eruption (EE) of the maxillary first permanent molars (FPM) remains unclear and controversial. This study was designed to explore the dental and skeletal factors for EE of the FPM in children. Materials and methods: Children aged 6-10 years were recruited to this study. Subjects were assigned to the ectopic eruption group (EEG) and the normal eruption group (NEG). Lateral cephalometric radiographs and panoramic radiographs were measured by angular and linear indices. Results: The prevalence of EE of maxillary FPM was higher in males and at younger ages. Subjects with skeletal class III malocclusion were more likely to be diagnosed with EE of maxillary FPM. The SNA, ANB, FMIA, Wits, Ptm-A, ANS-PNS, overbite, and overjet were significantly different between the EEG and the NEG. The length of the posterior region of the maxillary alveolar bone, U6-OP, and eruptive angulation of the maxillary FPM were statistically different between the two groups. Conclusion: Male sex, skeletal class III malocclusion, mesial inclination of the maxillary FPM, hypoplasia of the maxilla, and insufficient length of the posterior region of the maxillary alveolar bone were related to EE of the maxillary FPM.

Multimodal diagnosis of cerebrospinal fluid rhinorrhea: State of the art review and emerging concepts.

Objective: Currently, diagnosis of cerebrospinal fluid (CSF) rhinorrhea relies on a multimodal approach, increasing costs and ultimately delaying diagnosis. In the United States and internationally, the crux of such a diagnosis relies on confirmation testing (via biomarkers) and localization (e.g., imaging). Biomarker testing may require analysis at an outside facility, resulting in delays diagnosis and treatment. In addition, specialized imaging may be nonspecific and often requires an active leak for diagnosis. There remains a clear need for innovative new technology. Methods: A comprehensive review was conducted on both foundational and innovative scholarly articles regarding current and emerging diagnosis modalities for CSF. Results: Current modalities in CSF rhinorrhea diagnosis and localization include laboratory tests (namely, B2T immunofixation), imaging (CT and/or MRI) with or without intrathecal administration, and surgical exploration. Each of these modalities carry flaws, risks, and benefits, ultimately contributing to delays in diagnosis and morbidity. Promising emerging technologies include lateral flow immunoassays (LFI) and biologically functionalized field-effect transistors (BioFET). Nevertheless, these carry some drawbacks of their own, and require further validation. Conclusion: CSF rhinorrhea remains a challenging diagnosis, requiring a multimodal approach to differentiate from nonpathologic causes of rhinorrhea. Current methods in diagnosis are imperfect, as the ideal test would be a readily accessible, inexpensive, rapid, highly accurate point-of-care test without the need for excess fluid or specialized processing. Critical work is being done to develop promising, new, improved tests, though a clear successor has not yet emerged. Level of Evidence: N/A.