Correction: FragGen: towards 3D geometry reliable fragment-based molecular generation.

[This corrects the article DOI: 10.1039/D4SC04620J.].

Switchable modes of azulene-based single molecule-electrode coupling controlled by interfacial charge distribution.

Molecule-electrode interactions are critical for determining transport mechanisms and device functionalities in both single-molecule electrochemistry and electronics. Crucial factors such as anchoring groups and local fields have been studied, but the role of electrolytes and interfacial charge distribution remains largely underexplored. The present research focuses on how the interfacial charge distribution in the electric double layer (EDL) controls single-molecule junctions anchored by azulene.

[Multi-omics genetic association analysis identifies susceptibility risk gene of acute viral respiratory infections in multi-ancestry populations and screening of potential traditional Chinese medicines].

The investigation of new strategies to prevent acute viral respiratory infections(ARI) is essential for reducing the global disease burden. Genetic association studies are valuable in identifying the susceptibility risk factors for diseases, and genetic evidence can expedite drug approval. To date, few studies have been conducted to reveal the susceptibility risks of ARI and identify novel drug targets through multi-omics genetic association analysis.

Twelve Shugan Lidan Granules from traditional Chinese medicine can improve liver function in patients with postoperative hepatolithiasis by inhibiting the Hippo signaling pathway.

Introduction: Hepatolithiasis (HL) is a complex liver and biliary disorder characterized by high rates of recurrence. This study aimed to evaluate the efficacy of Twelve Shugan Lidan Granules (TSLG), a compound herbal traditional Chinese formulation, in the treatment of HL, as well as to investigate its underlying mechanism.

Methods: A retrospective analysis was conducted involving 157 patients diagnosed with HL, who were divided into two groups: the control group and the research group.

γδ T cells in hematological malignancies: mechanisms and therapeutic strategies.

γδ T cells are a unique subset of lymphocytes with both innate and adaptive features. They recognize and eradicate various hematological malignancies through different mechanisms, employing factors including γδ TCR, NKR, NKG2D, TRAIL, and perforin/granzyme. They also modulate other immune cells to enhance their antitumor activity.

Increased Plasma -Secretase 1 Activity Correlates With Neurodegeneration in Cerebral Small Vessel Disease.

Background: -secretase 1 (BACE1) plays a key role in amyloidogenic pathway and is considered a new mechanism for cerebral small vessel disease (CSVD). We explore the potential role of plasma BACE1 in CSVD and the pathological process it may be involved in.

Methods And Results: We enrolled 163 participants with CSVD (114 cerebral amyloid angiopathy and 49 hypertensive hemorrhage), and 96 cognitively unimpaired elders and 40 participants with Alzheimer's disease as controls.

Study on the discoloration phenomenon caused by iron ion oxidation in Boston ivy pads and its effect on adhesion force.

Boston ivy has received much attention from researchers owing to its exceptional climbing abilities. However, many aspects of their adhesion behavior remain unresolved. Our research has discovered a phenomenon of oxidation and discoloration in Boston ivy pads, which leads to a significant decrease in adhesion force.

Simultaneous Regulating the Surface, Interface, and Bulk via Phosphating Modification for High-Performance Li-Rich Layered Oxides Cathodes.

Li-rich Mn-based layered oxides (LRMOs) are regarded as the leading cathode materials to overcome the bottleneck of higher energy density. Nevertheless, they encounter significant challenges, including voltage decay, poor cycle stability, and inferior rate performance, primarily due to irreversible oxygen release, transition metal dissolution, and sluggish transport kinetics. Moreover, traditionally single modification strategies do not adequately address these issues.

Multi-resonance emitters with room-temperature phosphorescence in amorphous state and excited by visible light.

Unlike boron, nitrogen-containing multi-resonance emitters with thermally activated delayed fluorescence, here we report boron, sulfur (B, S)-based multi-resonance emitters with room-temperature phosphorescence (RTP) by inserting thiophene into a 5,9-dithia-13-boranaphtho[3,2,1-]anthracene skeleton that simultaneously realizes large singlet-triplet energy splitting and strong spin-orbital coupling, leading to efficient room-temperature phosphorescence in an amorphous state. Unlike most RTP emitters with ultraviolet excitation, the multi-resonance RTP emitters exhibit strong phosphorescence under daily-use blue/white LED lamps owing to their intense absorption in the visible-light region (400-486 nm). Meanwhile, such RTP behavior can be tuned by the number and fusing pattern of the thiophene moieties, with the emitters containing thiophene linked to boron atoms α-positions exhibiting bathochromatically shifted emissions and longer phosphorescence lifetimes (47.

FragGen: towards 3D geometry reliable fragment-based molecular generation.

3D structure-based molecular generation is a successful application of generative AI in drug discovery. Most earlier models follow an atom-wise paradigm, generating molecules with good docking scores but poor molecular properties (like synthesizability and drugability). In contrast, fragment-wise generation offers a promising alternative by assembling chemically viable fragments.

Bioinspired and biomimetic nucleobase-containing polymers: the effect of selective multiple hydrogen bonds.

Bioinspired and biomimetic nucleobase-containing polymers are a series of polydisperse nucleic acid analogs, mainly obtaining through highly efficient and scalable step-growth or chain polymerizations. The combination of pendant nucleobase groups and various backbones endows the polymers/materials with selective multiple H-bonds under distinct conditions, demonstrating the broad applicability of this new family of polymeric materials. In this perspective, we critically summarize recent advances of bioinspired and biomimetic nucleobase-containing polymers and materials in both solution and the bulk.

Pituitary hyperplasia secondary to primary hypothyroidism in adolescents: A medical case report and literature review.

Prompt and precise diagnosis of pituitary hyperplasia secondary to primary hypothyroidism (PHPH) is crucial to avoid unwarranted pituitary surgery and potential permanent impairment. Although PHPH may present similarly to pituitary adenoma, it is responsive to thyroxine therapy, underscoring the critical role of differential diagnosis in the treatment of adolescent patients.

Effect of Intravenous Tirofiban Versus Placebo on First-Pass Successful Reperfusion in Endovascular Stroke Thrombectomy: Insights From the RESCUE BT Randomized Clinical Trial.

Background: First-pass successful reperfusion (FPSR), defined as a successful/complete reperfusion achieved after a single thrombectomy pass, is predictive of favorable outcome in patients with acute ischemic stroke with large-vessel occlusion. It is unknown whether intravenous tirofiban is effective in increasing the rate of FPSR in acute anterior large-vessel occlusion stroke.

Methods And Results: Patients who had acute large-vessel occlusion stroke presenting within 24 hours and underwent endovascular thrombectomy were analyzed from the RESCUE BT (Intravenous Tirofiban for Patients With Large Vessel Occlusion Stroke) clinical trial, of which the main analysis was neutral.

Boosting exciton dissociation in anion and cation co-doped polymeric semiconductor for selective oxidation reaction.

The inherently low dielectric properties and weak shielding effect of polymeric semiconductors cause excitons to dominate their photoexcitation process, which greatly restricts the photocatalytic performances mediated by charge carriers. Here, an anion and cation co-doping strategy was proposed to weaken the binding energy of excitons by forming distinct positive and negative charge regions, where the charge asymmetry produced an external potential to drive exciton dissociation. Using polymeric carbon nitride as a typical model framework, we show that the incorporation of anions (Cl, Br, I) and cations (Na, K) could create a significant spatial separation of electrons and holes, thereby promoting exciton dissociation.

The rheumatoid arthritis gut microbial biobank reveals core microbial species that associate and effect on host inflammation and autoimmune responses.

Gut microbiota dysbiosis has been implicated in rheumatoid arthritis (RA) and influences disease progression. Although molecular and culture-independent studies revealed RA patients harbored a core microbiome and had characteristic bacterial species, the lack of cultured bacterial strains had limited investigations on their functions. This study aimed to establish an RA-originated gut microbial biobank (RAGMB) that covers and further to correlates and validates core microbial species on clinically used and diagnostic inflammation and immune indices.

A bispecific antibody targeting the Ig domains of Siglec-E displays enhanced antitumor effects.

Siglec-9 is a promising immune checkpoint molecule, and therapeutics targeting Siglec-9 have the potential to augment anti-tumor immunity. Here, we generated a bispecific antibody, named as aSE4-1-Fc, by fusing two distinct alpaca derived nanobodies, which can simultaneously target the extracellular Ig variable (V)-set domain and C2-set domains of murine Siglec-9 (also known as Siglec-E) with high affinity. In vivo studies showed that aSE4-1-Fc was better than its component antibodies in inhibiting tumor growth/metastasis, and Siglec-E blockade using aSE4-1-Fc generated protective anti-tumor T cell memory.

Alterations in the axon initial segment plasticity is involved in early pathogenesis in Alzheimer's disease.

Alzheimer's disease (AD) is the most prevalent neurodegenerative disorder, characterized by the early presence of amyloid-β (Aβ) and hyperphosphorylated tau. Identifying the neuropathological changes preceding cognitive decline is crucial for early intervention. Axon initial segment (AIS) maintains the orderly structure of the axon and is responsible for initiating action potentials (APs).

Neoadjuvant chemotherapy plus immunotherapy for locally advanced esophageal cancer.

Objective: This study aimed to explore the efficacy of neoadjuvant chemotherapy plus programmed death-1 (PD-1) inhibitor camrelizumab for the treatment of locally advanced esophageal cancer.

Methods: This was a retrospective analysis. 87 patients with locally advanced esophageal cancer were included who received neoadjuvant chemotherapy plus immunotherapy between June 2018 and April 2021 in our oncology department.

EmbB and EmbC regulate the sensitivity of to echinomycin.

Treatment of (Mab) infections is very challenging due to its intrinsic resistance to most available drugs. Therefore, it is crucial to discover novel anti-Mab drugs. In this study, we explored an intrinsic resistance mechanism through which Mab resists echinomycin (ECH).