Theoretical Study on the Excitation Energy Transfer Dynamics in the Phycoerythrin PE555 Light-Harvesting Complex.

Photosynthesis in nature begins with light harvesting. The special pigment-protein complex converts sunlight into electron excitation that is transmitted to the reaction center, which triggers charge separation. Evidence shows that quantum coherence between electron excited states is important in the excitation energy transfer process.

A Smartphone-Integrated Molecularly Imprinted Fluorescence Sensor for Visual Detection of Chlortetracycline Based on N,P-Codoped Carbon Dots Decorated Iron-Based Metal-Organic Frameworks.

The residue of chlortetracycline is potentially hazardous to human health; it is meaningful to exploit a portable, rapid, sensitive, and selective method for detection of chlortetracycline (CTC). In this study, a novel fluorescence bionic sensing probe (NH-MIL-53&N,P-CDs@MIP) was successfully prepared based on the nitrogen and phosphorus codoped carbon dots decorated iron-based metal-organic frameworks combining with molecular imprinted polymer for the detection of CTC. A fluorescence intensity-responsive "on-off" detection of CTC on account of the inner-filter effect (IFE) was achieved by NH-MIL-53&N,P-CDs@MIP.

The participation of clinical pharmacists in the treatment of patients with central nervous system infection can improve the effectiveness and appropriateness of anti-infective treatments: a retrospective cohort study.

Central nervous system infection (CNSI) treatment in hospital neurosurgery emphasizes the importance of optimizing antimicrobial therapy. Timely and appropriate empiric antibiotic treatment is critical for managing patients with bacterial meningitis. To evaluate the activities of clinical pharmacists in the anti-infective treatment of patients with CNSI in neurosurgery.

Development of Magnetic Lateral Flow and Direct Competitive Immunoassays for Sensitive and Specific Detection of Halosulfuron-Methyl Using a Novel Hapten and Monoclonal Antibody.

Halosulfuron-methyl (HM) is widely used for the removal of noxious weeds in corn, sugarcane, wheat, rice, and tomato fields. Despite its high efficiency and low toxicity, drift to nontarget crops and leaching of its metabolites to groundwater pose potential risks. Considering the instability of HM, the pyrazole sulfonamide of HM was used to generate a hapten and antigen to raise a high-quality monoclonal antibody (Mab, designated 1A91H11) against HM.

Modeling and insights into the structural characteristics of endocrine-disrupting chemicals.

Endocrine-disrupting chemicals (EDCs) can cause serious harm to human health and the environment; therefore, it is important to rapidly and correctly identify EDCs. Different computational models have been proposed for the prediction of EDCs over the past few decades, but the reported models are not always easily available, and few studies have investigated the structural characteristics of EDCs. In the present study, we have developed a series of artificial intelligence models targeting EDC receptors: the androgen receptor (AR); estrogen receptor (ER); and pregnane X receptor (PXR).

Safety of butylphthalide and edaravone in patients with ischemic stroke: a multicenter real-world study.

Background: Butylphthalide (NBP) and edaravone (EDV) injection are common acute ischemic stroke medications in China, but there is a lack of large real-world safety studies on them. This study aimed to determine the incidence of adverse events, detect relevant safety signals, and assess the risk factors associated with these medications in real-world populations.

Methods: In this study, data of acute ischemic stroke patients were extracted from the electronic medical record database of six tertiary hospitals between January 2019 and August 2021.

Competitive fluorescent immunosensor based on catalytic hairpin self-assembly for multiresidue detection of organophosphate pesticides in agricultural products.

Simple and rapid multiresidue trace detection of organophosphate pesticides (OPs) is extremely important for various reasons, including food safety, environmental monitoring, and national health. Here, a catalytic hairpin self-assembly (CHA)-based competitive fluorescent immunosensor was developed to detect OPs in agricultural products, involving enabled dual signal amplification followed by a CHA reaction. The developed method could detect 0.

Obtaining a Monoclonal Antibody against a Novel Prometryn-Like Hapten and Characterization of Its Selectivity for Triazine Herbicides.

In this study, a previously unreported 3-((4-(isopropylamino)-6-(methylthio)-1,3,5-triazin-2-yl) amino) butyric acid hapten was designed and synthesized. This maximized the exposure of the antigen-determinant isopropyl of prometryn to the immune system in animals to induce the production of anticipated highly specific anti-prometryn antibodies. The hapten has a molecular weight of 285.

Machine Learning Modeling and Insights into the Structural Characteristics of Drug-Induced Neurotoxicity.

Neurotoxicity can be resulted from many diverse clinical drugs, which has been a cause of concern to human populations across the world. The detection of drug-induced neurotoxicity (DINeurot) potential with biological experimental methods always required a lot of budget and time. In addition, few studies have addressed the structural characteristics of neurotoxic chemicals.

SARS-CoV-2 vaccines are not associated with hypercoagulability in apparently healthy people.

Background: SARS-CoV-2 adenoviral vector DNA vaccines have been linked to the rare but serious thrombotic postvaccine complication vaccine-induced immune thrombotic thrombocytopenia. This has raised concerns regarding the possibility of increased thrombotic risk after any SARS-CoV-2 vaccines.

Objectives: To investigate whether SARS-CoV-2 vaccines cause coagulation activation leading to a hypercoagulable state.

Modeling and insights into the structural characteristics of drug-induced autoimmune diseases.

The incidence and complexity of drug-induced autoimmune diseases (DIAD) have been on the rise in recent years, which may lead to serious or fatal consequences. Besides, many environmental and industrial chemicals can also cause DIAD. However, there are few effective approaches to estimate the DIAD potential of drugs and other chemicals currently, and the structural characteristics and mechanism of action of DIAD compounds have not been clarified.

Zinc dendrite suppression by a novel additive combination for rechargeable aqueous zinc batteries.

With the advantages of low cost, good safety, and easy assembly, aqueous zinc batteries (AZBs) are expected to be a promising energy storage device. However, AZBs are compromised by Zn dendrites and the hydrogen evolution reaction. Herein, we use polyethylene glycol-200 (PEG-200) and benzylidene acetone (BDA) as additives in the electrolyte of AZBs in order to inhibit Zn dendrite growth and side reactions, thus improving the cycle performance of the Zn electrode.

A highly sensitive bio-barcode immunoassay for multi-residue detection of organophosphate pesticides based on fluorescence anti-quenching.

Balancing the risks and benefits of organophosphate pesticides (OPs) on human and environmental health relies partly on their accurate measurement. A highly sensitive fluorescence anti-quenching multi-residue bio-barcode immunoassay was developed to detect OPs (triazophos, parathion, and chlorpyrifos) in apples, turnips, cabbages, and rice. Gold nanoparticles were functionalized with monoclonal antibodies against the tested OPs.

Modeling and insights into the structural basis of chemical acute aquatic toxicity.

It has become a top global regulatory priority to prevent and control pollution from the release of synthetic chemicals, which continues to affect the aquatic communities. In the past decades, computational tools were largely used to significantly reduce the budget and time cost of chemical acute aquatic toxicity assessment. But the structural basis of toxic compounds was rarely analyzed.

SApredictor: An Expert System for Screening Chemicals Against Structural Alerts.

The rapid and accurate evaluation of chemical toxicity is of great significance for estimation of chemical safety. In the past decades, a great number of excellent computational models have been developed for chemical toxicity prediction. But most machine learning models tend to be "black box", which bring about poor interpretability.

Design and Characterization of a Novel Hapten and Preparation of Monoclonal Antibody for Detecting Atrazine.

This study provides the first design and synthetic protocol for preparing highly sensitive and specific atrazine (ATR) monoclonal antibodies (mAbs). In this work, a previously unreported hapten, 2-chloro-4-ethylamino-6-isopropylamino-1,3,5-triazine, was designed and synthesized, which maximally exposed the characteristic amino group ATR to an animal immune system to induce the expected antibody. The molecular weight of the ATR hapten was 259.

Comparative Effectiveness and Safety of Milrinone and Levosimendan as Initial Inotrope Therapy in Patients With Acute Heart Failure With Renal Dysfunction.

Levosimendan and milrinone are 2 effective inotropic drugs used to maintain cardiac output in acute heart failure (AHF). Using data from patients with AHF with and without abnormal renal function, we performed this single-center, retrospective cohort study to compare the effectiveness and safety of milrinone and levosimendan for the initial management of AHF. Patients admitted for heart failure between December 2016 and September 2019 who received levosimendan or milrinone as initial inotrope therapy in the cardiology department were identified.

A competitive immunoassay for detecting triazophos based on fluorescent catalytic hairpin self-assembly.

A rapid detection method is introduced for residual trace levels of triazophos in water and agricultural products using an immunoassay based on catalytic hairpin self-assembly (CHA). The gold nanoparticle (AuNPs) surface was modified with triazophos antibody and sulfhydryl bio-barcode, and an immune competition reaction system was established between triazophos and its ovalbumin-hapten (OVA-hapten). The bio-barcode served as a catalyst to continuously induce the CHA reaction to achieve the dual signal amplification.

Role of Pigment-Protein Coupling in the Energy Transport Dynamics in the Fenna-Matthews-Olson Complex.

The role of pigment-protein coupling in the dynamics of photosynthetic energy transport in chromophoric complexes has not been fully understood. The excitation energy transfer in the photosynthetic system is tremendously efficient. In particular, we investigate the excitation energy transport in the Fenna-Matthews-Olson (FMO) complex.

Enhanced Bio-Barcode Immunoassay Using Droplet Digital PCR for Multiplex Detection of Organophosphate Pesticides.

A bio-barcode immunoassay based on droplet digital polymerase chain reaction (ddPCR) was developed to simultaneously quantify triazophos, parathion, and chlorpyrifos in apple, cucumber, cabbage, and pear. Three gold nanoparticle (AuNP) probes and magnetic nanoparticle (MNP) probes were prepared, binding through their antibodies with the three pesticides in the same tube. Three groups of primers, probes, templates, and three antibodies were designed to ensure the specificity of the method.

In silico prediction of chemical-induced hematotoxicity with machine learning and deep learning methods.

Chemical-induced hematotoxicity is an important concern in the drug discovery, since it can often be fatal when it happens. It is quite useful for us to give special attention to chemicals which can cause hematotoxicity. In the present study, we focused on in silico prediction of chemical-induced hematotoxicity with machine learning (ML) and deep learning (DL) methods.

A sensitive bio-barcode immunoassay based on bimetallic Au@Pt nanozyme for detection of organophosphate pesticides in various agro-products.

Organophosphate pesticides (OPs) are often used as insecticides and acaricides in agriculture, thus improving yields. OP residues may pose a serious threat, duetoinhibitionof the enzymeacetylcholinesterase(AChE). Therefore, a competitive bio-barcode immunoassay was designed for simultaneous quantification of organophosphate pesticide residues using AuNP signal amplification technology and Au@Pt catalysis.

A visual bio-barcode immunoassay for sensitive detection of triazophos based on biochip silver staining signal amplification.

Herein, a novel visual method for detecting triazophos based on competitive bio-barcode immunoassay was described. The competitive immunoassay was established by gold nanoparticles (AuNPs), magnetic microparticle (MMPs) and triazophos, combined with biochip hybridization system to detect the residual of triazophos in water and apple. Because AuNPs carried many bio-barcodes, which hybridized with labeled DNA on the biochip, catalyzed signal amplification using silver staining was detected by grayscale values as well as the naked eye.