Your browser doesn't support javascript.
loading
Mostrar: 20 | 50 | 100
Resultados 1 - 20 de 130
Filtrar
1.
Insects ; 15(9)2024 Sep 01.
Artículo en Inglés | MEDLINE | ID: mdl-39336634

RESUMEN

Necrophagous phorid flies are common insects found on buried corpses, and their developmental data play a crucial role in estimating the post-burial interval (PBI). This study aimed to investigate the effects of soil type and moisture content on some life cycle parameters of two forensically important insects, Megaselia scalaris (Loew, 1866) and Dohrniphora cornuta (Bigot, 1857) (Diptera: Phoridae). Larval and pupal survival, development time, and larval body length of M. scalaris and D. cornuta were observed in three different soil types (loamy sand, sandy loam A, and sandy loam B) with six moisture contents (0%, 20%, 40%, 60%, 80%, and 100%). The results indicated that soil types, soil moisture, and their interaction significantly influenced the growth and development of both species, with moisture being the most influential factor. In each soil, 20% and 40% moisture contents were more suitable for their growth and development. Both the development time and maximum larval body length were significantly different among soil types and moisture contents. The larval period of both species lasted the longest in all soils with 0% moisture content. Additionally, a regression analysis of the relationship between larval body length and development time was performed at different moisture contents in three soils. This study expanded our knowledge of the factors that influence the development of necrophagous insects and provided some reference data for applications of M. scalaris and D. cornuta in PBI estimation.

2.
Nat Commun ; 15(1): 8396, 2024 Sep 27.
Artículo en Inglés | MEDLINE | ID: mdl-39333165

RESUMEN

Chemical derivatization is a powerful strategy to enhance sensitivity and selectivity of liquid chromatography-mass spectrometry for non-targeted analysis of chemicals in complex mixtures. However, it remains impossible to obtain large sets of reference spectra for chemically derived molecules (CDMs), representing a major barrier in real-world applications. Herein, we describe a deep learning approach that enables accurate prediction of electrospray ionization tandem mass spectra for CDMs (DeepCDM). DeepCDM is established by transfer learning from a generic spectrum predicting model using a small set of experimentally acquired tandem mass spectra of CDMs, which converts a generic model with low predictability for CDMs into a specialized model with high predictability. We demonstrate DeepCDM by predicting electrospray ionization tandem mass spectra of dansylated molecules. The success in establishing Dns-MS further enables the development of DnsBank, a dansylation-specialized in silico spectral library. DnsBank achieves significant increases of accurate annotation rates of dansylated molecules, facilitating discovery of new hazardous pollutants from an environmental study of leather industrial wastewater. DeepCDM is also highly versatile for other classes of CDMs. Therefore, we envision that DeepCDM will pave a way for high-throughput identification of CDMs in non-targeted analysis to dig unknowns with potential health impacts from emerging anthropogenic chemicals.

3.
Adv Mater ; 36(39): e2407586, 2024 Sep.
Artículo en Inglés | MEDLINE | ID: mdl-39126129

RESUMEN

Transition-metal dichalcogenide (TMDs) nanoplates exhibit unique properties different from their monolayer counterparts. Controllable nucleation and growth are prerequisite and highly desirable for their practical applications. Here, a self-anchored van-der-Waals stacking growth method is developed, by which the substrate pit induced by precursor etching anchors the source material, impedes the lateral spreading of source droplets and facilitates the in situ stacking growth of high-quality TMD nanoplates with a thickness of tens to hundreds of nanometers at well-defined locations. As such, an array of TMD nanoplates with controlled lateral dimensions are produced and applied in arrayed photodetectors. This study solves the problem of controllable preparation of TMD nanoplates, holding promise for applications in electronics and optoelectronics.

4.
Antimicrob Agents Chemother ; 68(8): e0053924, 2024 Aug 07.
Artículo en Inglés | MEDLINE | ID: mdl-38990016

RESUMEN

GST-HG171 is a potent, broad-spectrum, orally bioavailable small-molecule 3C-like (3CL) protease inhibitor that was recently approved for treating mild to moderate coronavirus disease 2019 patients in China. Since cytochrome P450 (CYP) enzymes, primarily CYP3A, are the main metabolic enzymes of GST-HG171, hepatic impairment may affect its pharmacokinetic (PK) profile. Aiming to guide clinical dosing for patients with hepatic impairment, this study, using a non-randomized, open-label, single-dose design, assessed the impact of hepatic impairment on the PK, safety, and tolerability of GST-HG171. Patients with mild and moderate hepatic impairment along with healthy subjects were enrolled (n = 8 each), receiving a single oral dose of 150 mg GST-HG171, with concurrent administration of 100 mg ritonavir to sustain CYP3A inhibition before and after GST-HG171 administration (-12, 0, 12, and 24 hours). Compared to subjects with normal hepatic function, the geometric least-squares mean ratios (90% confidence intervals) for GST-HG171's maximum plasma concentration (Cmax), area under the concentration-time curve up to the last quantifiable time (AUC0-t), and area under the plasma concentration-time curve from time 0 extrapolated to infinity (AUC0-∞) in subjects with mild hepatic impairment were 1.14 (0.99, 1.31), 1.07 (0.88, 1.30), and 1.07 (0.88, 1.29), respectively. For moderate hepatic impairment, the ratios were 0.87 (0.70, 1.07), 0.82 (0.61, 1.10), and 0.82 (0.61, 1.10), respectively. Hepatic impairment did not significantly alter GST-HG171's peak time (Tmax) and elimination half-life (T1/2). GST-HG171 exhibited good safety and tolerability in the study. Taken together, mild to moderate hepatic impairment minimally impacted GST-HG171 exposure, suggesting no need to adjust GST-HG171 dosage for patients with mild to moderate hepatic impairment in the clinic.Clinical TrialsRegistered at ClinicalTrials.gov (NCT06106113).


Asunto(s)
Inhibidores del Citocromo P-450 CYP3A , Hígado , Inhibidores de Proteasas , Adulto , Anciano , Femenino , Humanos , Masculino , Persona de Mediana Edad , Área Bajo la Curva , China , Tratamiento Farmacológico de COVID-19 , Citocromo P-450 CYP3A/metabolismo , Inhibidores del Citocromo P-450 CYP3A/efectos adversos , Inhibidores del Citocromo P-450 CYP3A/farmacocinética , Pueblos del Este de Asia , Hígado/efectos de los fármacos , Hepatopatías , Inhibidores de Proteasas/efectos adversos , Inhibidores de Proteasas/farmacocinética , Ritonavir/efectos adversos , Ritonavir/farmacocinética
5.
Nutrients ; 16(13)2024 Jul 08.
Artículo en Inglés | MEDLINE | ID: mdl-38999915

RESUMEN

OBJECTIVE: This study aimed to investigate the association of maternal first-trimester vitamin D levels and vitamin D supplementation during pregnancy with infant atopic dermatitis (AD) and to determine the effect of variables such as mode of conception on the association. METHODS: This study was based on the Shanghai sub-cohort of the International Birth Cohort of China. A total of 4051 woman-infant pairs with singleton pregnancies were recruited. Vitamin D deficiency and insufficiency were defined as serum 25-hydroxyvitamin D concentrations of 25 and 50 nmol/L, respectively. AD in infants was assessed during the first six months using a standardized questionnaire based on the British Working Party criteria. Modified Poisson regression estimated the association between maternal vitamin D status and infant AD. RESULTS: The risk of AD in infants was higher in women with deficient 25-hydroxyvitamin D levels in the first trimester (RR: 1.77, 95% CI: 1.41-2.23). This increased risk was seen in naturally conceived pregnancies, but not in those conceived using assisted reproductive technology (ART). The incidence of AD decreased in infants of mothers who took multi-vitamin (RR: 0.79, 95% CI: 0.67-1.98) and vitamin D supplements (RR: 0.51, 95% CI: 0.37-0.71) compared to those whose mothers did not take any supplements. Maternal vitamin D deficiency had varying effects on AD risk based on passive smoking exposure and breastfeeding patterns. CONCLUSIONS: Our findings highlight the importance of monitoring and supplementing vitamin D during pregnancy, especially in specific maternal populations, to reduce the risk of AD in offspring.


Asunto(s)
Dermatitis Atópica , Suplementos Dietéticos , Primer Trimestre del Embarazo , Deficiencia de Vitamina D , Vitamina D , Humanos , Femenino , Dermatitis Atópica/epidemiología , Dermatitis Atópica/sangre , Embarazo , Vitamina D/análogos & derivados , Vitamina D/sangre , Estudios Prospectivos , Deficiencia de Vitamina D/sangre , Deficiencia de Vitamina D/epidemiología , Adulto , Lactante , Primer Trimestre del Embarazo/sangre , China/epidemiología , Recién Nacido , Cohorte de Nacimiento , Fenómenos Fisiologicos Nutricionales Maternos , Complicaciones del Embarazo/sangre , Complicaciones del Embarazo/epidemiología , Factores de Riesgo , Masculino , Incidencia
6.
Phys Chem Chem Phys ; 26(23): 16459-16465, 2024 Jun 12.
Artículo en Inglés | MEDLINE | ID: mdl-38832399

RESUMEN

Developing high-loading spin-polarized p-block-element-based single-atom catalysts (p-SACs) upon defect-free substrates for various chemical reactions wherein spin selection matters is generally considered a formidable challenge because of the difficulty of creating high densities of underpinning stable defects and the delocalized electronic features of p-block elements. Here our first-principles calculations establish that the defect-free rutile TiO2(110) wide-bandgap semiconducting anchoring support can stabilize and localize the wavefunctions of p-block metal elements (Sb and Bi) via strong ionic bonding, forming spin-polarized p-SACs. Cooperated by the underlying d-block Ti atoms via a delicate spin donation-back-donation mechanism, the p-block single-atom reactive center Sb(Bi) exhibits excellent catalysis for spin-triplet O2 activation and CO oxidation in alignment with Wigner's spin selection rule, with a low rate-limiting reaction barrier of ∼0.6 eV. This work is crucial in establishing high-loading reactive centers of high-performance p-SACs for various important physical processes and chemical reactions, especially wherein the spin degree of freedom matters, i.e., spin catalysis.

7.
J Colloid Interface Sci ; 672: 161-169, 2024 Oct 15.
Artículo en Inglés | MEDLINE | ID: mdl-38838625

RESUMEN

Intelligent shape memory polymer can be potentially used in manufacturing implantable devices that enables a benign variation of implant dimensions with the external stimuli, thus effectively lowering insertion forces and evading associated risks. However, in surgical implantation, biomaterials-associated infection has imposed a huge burden to healthcare system that urgently requires an efficacious replacement of antibiotic usages. Preventing the initial attachment and harvesting a biocidal function upon native surfaces may be deemed as a preferable strategy to tackle the issues of bacterial infection. Herein, a functionalized polylactic acid (PLA) composite membrane assembled with graphene (GE, a widely used photothermal agent) was fabricated through a blending process and then polydimethylsiloxane utilized as binders to pack hydrophobic SiO2 tightly onto polymer surface (denoted as PLA-GE/SiO2). Such an active platform exhibited a moderate shape-memory performance upon near-infrared (NIR) light stimulation, which was feasible for programmed deformation and shape recovery. Particularly stirring was that PLA-GE/SiO2 exerted a pronounced bacteria-killing effect under NIR illumination, 99.9 % of E. coli and 99.8 % of S. aureus were effectively eradicated in a lean period of 5 min. Furthermore, the obtained composite membrane manifested excellent antiadhesive properties, resulting in a bacteria-repelling efficacy of up to 99 % for both E. coli and S. aureus species. These findings demonstrated the potential value of PLA-GE/SiO2 as a shape-restorable platform in "kill&repel" integration strategy, further expanding its applications for clinical anti-infective treatment.


Asunto(s)
Antibacterianos , Escherichia coli , Grafito , Pruebas de Sensibilidad Microbiana , Poliésteres , Staphylococcus aureus , Antibacterianos/farmacología , Antibacterianos/química , Escherichia coli/efectos de los fármacos , Staphylococcus aureus/efectos de los fármacos , Poliésteres/química , Poliésteres/farmacología , Grafito/química , Grafito/farmacología , Dióxido de Silicio/química , Dióxido de Silicio/farmacología , Propiedades de Superficie , Membranas Artificiales , Tamaño de la Partícula , Adhesión Bacteriana/efectos de los fármacos , Polímeros/química , Polímeros/farmacología , Rayos Infrarrojos , Dimetilpolisiloxanos/química , Dimetilpolisiloxanos/farmacología
9.
EClinicalMedicine ; 71: 102582, 2024 May.
Artículo en Inglés | MEDLINE | ID: mdl-38618202

RESUMEN

Background: GST-HG171 is a potent, broad-spectrum, orally bioavailable small-molecule 3C like protease inhibitor that has demonstrated greater potency and efficacy compared to Nirmatrelvir in pre-clinical studies. We aimed to evaluate the efficacy and safety of orally administered GST-HG171 plus Ritonavir in patients with coronavirus disease 2019 (COVID-19) infected with emerging XBB and non-XBB variants. Methods: This randomised, double-blind, placebo-controlled phase 2/3 trial was conducted in 47 sites in China among adult patients with mild-to-moderate COVID-19 with symptoms onset ≤72 h. Eligible patients were randomised 1:1 to receive GST-HG171 (150 mg) plus Ritonavir (100 mg) or corresponding placebo tablets twice daily for 5 days, with stratification factors including the risk level of disease progression and vaccination status. The primary efficacy endpoint was time to sustained recovery of clinical symptoms within 28 days, defined as a score of 0 for 11 COVID-19-related target symptoms for 2 consecutive days, assessed in the modified intention-to-treat (mITT) population. This trial was registered at ClinicalTrials.gov (NCT05656443) and Chinese Clinical Trial Registry (ChiCTR2200067088). Findings: Between Dec 19, 2022, and May 4, 2023, 1525 patients were screened. Among 1246 patients who underwent randomisation, most completed basic (21.2%) or booster (74.9%) COVID-19 immunization, and most had a low risk of disease progression at baseline. 610 of 617 who received GST-HG171 plus Ritonavir and 603 of 610 who received placebo were included in the mITT population. Patients who received GST-HG171 plus Ritonavir showed shortened median time to sustained recovery of clinical symptoms compared to the placebo group (13.0 days [95.45% confidence interval 12.0-15.0] vs. 15.0 days [14.0-15.0], P = 0.031). Consistent results were observed in both SARS-CoV-2 XBB (45.7%, 481/1053 of mITT population) and non-XBB variants (54.3%, 572/1053 of mITT population) subgroups. Incidence of adverse events was similar in the GST-HG171 plus Ritonavir (320/617, 51.9%) and placebo group (298/610, 48.9%). The most common adverse events in both placebo and treatment groups were hypertriglyceridaemia (10.0% vs. 14.7%). No deaths occurred. Interpretation: Treatment with GST-HG171 plus Ritonavir has demonstrated benefits in symptom recovery and viral clearance among low-risk vaccinated adult patients with COVID-19, without apparent safety concerns. As most patients were treated within 2 days after symptom onset in our study, confirming the potential benefits of symptom recovery for patients with a longer duration between symptom onset and treatment initiation will require real-world studies. Funding: Fujian Akeylink Biotechnology Co., Ltd.

10.
Anal Chem ; 96(9): 3951-3959, 2024 Mar 05.
Artículo en Inglés | MEDLINE | ID: mdl-38377587

RESUMEN

Identification of degradation products and pathways is crucial for investigating emerging pollutants and evaluation of wastewater treatment methods. Nontargeted analysis is a powerful tool to comprehensively investigate the degradation pathways of organic pollutants in real-world wastewater samples but often generates large data sets, making it difficult to effectively locate the exact information on interests. Herein, to efficiently establish the linkages among compounds in the same degradation pathways, we introduce a compound similarity network (CSN) as a novel data mining strategy for LC-MS-based nontargeted analysis of complex wastewater samples. Different from molecular networks that cluster compounds based on MS/MS spectra similarity, our CSN strategy harnesses molecular fingerprints to establish linkages among compounds and thus is spectra-independent. The effectiveness of CSN was demonstrated by nontargeted identification of degradation pathways and products of organic pollutants in leather industrial wastewater that underwent laboratory-scale activated carbon adsorption (ACD) and ozonation treatments. Utilizing CSN in interpreting nontargeted data, we tentatively annotated 4324 compounds in the untreated leather industrial wastewater, 3246 after ACD, and 3777 after ACD/ozonation. We located 145 potential degradation pathways of organic pollutants in the ACD/ozonation process using CSN and validated 7 pathways with 15 chemical standards. CSN also revealed 5 clusters of emerging pollutants, from which 3 compounds were selected for in vitro cytotoxicity study to evaluate their potential biohazards as new pollutants. As CSN offers an efficient way to connect massive compounds and to find multiple degradation pathways in a high-throughput manner, we anticipate that it will find wide applications in nontargeted analysis of diverse environmental samples.

11.
Chemosphere ; 351: 141178, 2024 Mar.
Artículo en Inglés | MEDLINE | ID: mdl-38218236

RESUMEN

Excessive or inappropriate applications of imazethapyr cause severe ecological deteriorations and health risks in human. A novel bacterial strain, i.e., Bacillus marcorestinctum YN1, was isolated to efficiently degrade imazethapyr, with the degradation pathways and intermediates predicted. Protein mass spectrometry analysis identified enzymes in strain YN1 potentially involved in imazethapyr biodegradation, including methylenetetrahydrofolate dehydrogenase, carbon-nitrogen family hydrolase, heme degrading monooxygenase, and cytochrome P450. The strain YN1 was further immobilized with biochar (BC600) prepared from mushroom waste (i.e., spent mushroom substrate) by pyrolysis at 600 °C to evaluate its degrading characteristics of imazethapyr. Scanning electron microscope observation showed that strain YN1 was adsorbed in the rich pore structure of BC600 and the adsorption efficiency reached the maximum level of 88.02% in 6 h. Both energy dispersive X-ray and Fourier transform infrared spectroscopy analyses showed that BC600 contained many elements and functional groups. The results of liquid chromatography showed that biochar-immobilized strain YN1 (IBC-YN1) improved the degradation rate of imazethapyr from 79.2% to 87.4%. The degradation rate of imazethapyr by IBC-YN1 could still reach 81.0% in the third recycle, while the bacterial survival rate was 67.73% after 180 d storage at 4 °C. The treatment of IBC-YN1 significantly shortened the half-life of imazethapyr in non-sterilized soil from 35.51 to 11.36 d, and the vegetative growth of imazethapyr sensitive crop plant (i.e., Cucumis sativus L.) was significantly increased in soil remediated, showing that the inhibition rate of root length and fresh weight were decreased by 12.45% and 38.49% respectively. This study exhanced our understanding of microbial catabolism of imazethapyr, and provided a potential in situ remediation strategy for improving the soil environment polluted by imazethapyr.


Asunto(s)
Bacillus , Carbón Orgánico , Herbicidas , Ácidos Nicotínicos , Contaminantes del Suelo , Humanos , Herbicidas/análisis , Suelo/química , Biodegradación Ambiental , Bacterias/metabolismo , Contaminantes del Suelo/análisis
12.
Antimicrob Agents Chemother ; 68(1): e0111523, 2024 Jan 10.
Artículo en Inglés | MEDLINE | ID: mdl-38099673

RESUMEN

This study is aimed to evaluate the safety, tolerability, and pharmacokinetics (PK), as well as to select an appropriate dosing regimen for the pivotal clinical trial of GST-HG171, an orally bioavailable, potent, and selective 3CL protease inhibitor by a randomized, double-blind, and placebo-controlled phase I trial in healthy subjects. We conducted a Ph1 study involving 78 healthy subjects to assess the safety, tolerability, and PK of single ascending doses (150-900 mg) as well as multiple ascending doses (MADs) (150 and 300 mg) of GST-HG171. Additionally, we examined the food effect and drug-drug interaction of GST-HG171 in combination with ritonavir through a MAD regimen of GST-HG171/ritonavir (BID or TID) for 5 days. Throughout the course of these studies, no serious AEs or deaths occurred, and no AEs necessitated study discontinuation. We observed that food had no significant impact on the exposure of GST-HG171. However, the presence of ritonavir substantially increased the exposure of GST-HG171, which facilitated the selection of the GST-HG171/ritonavir dose and regimen (150/100 mg BID) for subsequent phase II/III trials. The selected dose regimen was achieved through concentrations continuously at 6.2-9.9-fold above the levels required for protein-binding adjusted 50% inhibition (IC50) of viral replication in vitro. The combination of 150 mg GST-HG171/100 mg ritonavir demonstrated favorable safety and tolerability profiles. The PK data obtained from GST-HG171/ritonavir administration guided the selection of appropriate dose for a pivotal phase II/III trial currently in progress. (This study has been registered at ClinicalTrials.gov under identifier NCT05668897).


Asunto(s)
COVID-19 , Ritonavir , Humanos , Ritonavir/uso terapéutico , Interacciones Farmacológicas , Antivirales/uso terapéutico , Administración Oral , Método Doble Ciego , Relación Dosis-Respuesta a Droga
13.
J Phys Condens Matter ; 35(47)2023 Aug 31.
Artículo en Inglés | MEDLINE | ID: mdl-37567212

RESUMEN

To integrate two-dimensional (2D) materials into van der Waals heterostructures (vdWHs) is regarded as an effective strategy to achieve multifunctional devices. The vdWHs with strong intrinsic ferroelectricity is promising for applications in the design of new electronic devices. The polarization reversal transitions of 2D ferroelectric Ga2O3layers provide a new approach to explore the electronic structure and optical properties of modulated WS2/Ga2O3vdWHs. The WS2/Ga2O3↑ and WS2/Ga2O3↓ vdWHs are designed to explore possible characteristics through the electric field and biaxial strain. The biaxial strain can effectively modulate the mutual transition of two mode vdWHs in type II and type I band alignment. The strain engineering enhances the optical absorption properties of vdWHs, encompassing excellent optical absorption properties in the range from infrared to visible to ultraviolet, ensuring promising applications in flexible electronics and optical devices. Based on the highly modifiable physical properties of the WS2/Ga2O3vdWHs, we have further explored the potential applications for the field-controlled switching of the channel in MOSFET devices.

14.
Environ Sci Pollut Res Int ; 30(43): 97233-97252, 2023 Sep.
Artículo en Inglés | MEDLINE | ID: mdl-37589854

RESUMEN

In the context of China's economic and social transformation, smart cities are becoming increasingly important for green development. Based on pilot smart cities and panel data from 274 prefecture-level cities in China from 2006 to 2018, this paper mainly evaluates the impact of smart city construction (SCC) on green technology innovation (GTI). To analyze SCC mechanisms and heterogeneity, we used China's smart city pilots as a quasi-natural experiment. In terms of the influencing mechanism, SCC can promote GTI by enhancing the digital economy level. Meanwhile, the optimization allocation of resources, including labor, land, and capital, can effectively foster the promoting effect of SCC on GTI. Moreover, SCC has a spatial diffusion effect; it will not only promote local GTI, but also improve the level of GTI in neighboring cities. In terms of the heterogeneity analysis, smart cities, which present a large scales, rich human capital, and high-level infrastructure, have a strongly positive effect on GTI. This study provides important empirical evidence for the development of SCC and GTI.


Asunto(s)
Tecnología , Humanos , Ciudades , China , Difusión
15.
Chem Commun (Camb) ; 59(57): 8803-8805, 2023 Jul 13.
Artículo en Inglés | MEDLINE | ID: mdl-37366312

RESUMEN

Herein, we describe a novel strategy that enables lateral flow readout for DNA strand displacement via disassembling chemical labels (DCL). Comparing it to a classic fluorogenic assay, we demonstrate that our DCL-based lateral flow assay is highly sensitive and specific, capable of discriminating single nucleotide variants in buccal swab samples.


Asunto(s)
Técnicas Biosensibles , ADN/genética
16.
Chin Chem Lett ; : 108688, 2023 Jun 15.
Artículo en Inglés | MEDLINE | ID: mdl-37362324

RESUMEN

The outbreak of COVID-19 has drawn great attention around the world. SARS-CoV-2 is a highly infectious virus with occult transmission by many mutations and a long incubation period. In particular, the emergence of asymptomatic infections has made the epidemic even more severe. Therefore, early diagnosis and timely management of suspected cases are essential measures to control the spread of the virus. Developing simple, portable, and accurate diagnostic techniques for SARS-CoV-2 is the key to epidemic prevention. The advantages of point-of-care testing technology make it play an increasingly important role in viral detection and screening. This review summarizes the point-of-care testing platforms developed by nucleic acid detection, immunological detection, and nanomaterial-based biosensors detection. Furthermore, this paper provides a prospect for designing future highly accurate, cheap, and convenient SARS-CoV-2 diagnostic technology.

17.
Phys Chem Chem Phys ; 25(21): 14969-14980, 2023 May 31.
Artículo en Inglés | MEDLINE | ID: mdl-37211835

RESUMEN

The integration of two-dimensional (2D) materials into van der Waals heterostructures (vdWHs) is regarded as an effective strategy for fabricating multifunctional devices. Herein, the effects of the vertical electric field and biaxial strain on the electronic, optical and transport properties of SeWS (SWSe)/h-BP vdWHs are systematically investigated using density functional theory calculations. The study shows that electric fields and biaxial strain can modulate not only the band gap but also the band alignment to produce multifunctional device applications. The SWSe/h-BP vdWHs can be used as highly efficient 2D exciton solar cells with a power conversion efficiency of up to 20.68%. In addition, the SWSe/h-BP vdWHs present a significant negative differential resistance (NDR) with a peak-to-valley ratio of 1.12 (1.18). The present work may provide a direction for tunable multiple-band alignments in SWSe/h-BP vdWHs and help achieve multifunctional device applications.

18.
Nanomaterials (Basel) ; 13(8)2023 Apr 21.
Artículo en Inglés | MEDLINE | ID: mdl-37111017

RESUMEN

Electrochemical N2 reduction reaction (NRR) is a promising approach for NH3 production under mild conditions. Herein, the catalytic performance of 3d transition metal (TM) atoms anchored on s-triazine-based g-C3N4 (TM@g-C3N4) in NRR is systematically investigated by density functional theory (DFT) calculations. Among these TM@g-C3N4 systems, the V@g-C3N4, Cr@g-C3N4, Mn@g-C3N4, Fe@g-C3N4, and Co@g-C3N4 monolayers have lower ΔG(*NNH) values, especially the V@g-C3N4 monolayer has the lowest limiting potential of -0.60 V and the corresponding limiting-potential steps are *N2+H++e-=*NNH for both alternating and distal mechanisms. For V@g-C3N4, the transferred charge and spin moment contributed by the anchored V atom activate N2 molecule. The metal conductivity of V@g-C3N4 provides an effective guarantee for charge transfer between adsorbates and V atom during N2 reduction reaction. After N2 adsorption, the p-d orbital hybridization of *N2 and V atoms can provide or receive electrons for the intermediate products, which makes the reduction process follow acceptance-donation mechanism. The results provide an important reference to design high efficiency single atom catalysts (SACs) for N2 reduction.

19.
J Am Chem Soc ; 145(18): 10035-10044, 2023 05 10.
Artículo en Inglés | MEDLINE | ID: mdl-37097713

RESUMEN

Compared with traditional assay techniques, field-effect transistors (FETs) have advantages such as fast response, high sensitivity, being label-free, and point-of-care detection, while lacking generality to detect a wide range of small molecules since most of them are electrically neutral with a weak doping effect. Here, we demonstrate a photo-enhanced chemo-transistor platform based on a synergistic photo-chemical gating effect in order to overcome the aforementioned limitation. Under light irradiation, accumulated photoelectrons generated from covalent organic frameworks offer a photo-gating modulation, amplifying the response to small molecule adsorption including methylglyoxal, p-nitroaniline, nitrobenzene, aniline, and glyoxal when measuring the photocurrent. We perform testing in buffer, artificial urine, sweat, saliva, and diabetic mouse serum. The limit of detection is down to 10-19 M methylglyoxal, about 5 orders of magnitude lower than existing assay technologies. This work develops a photo-enhanced FET platform to detect small molecules or other neutral species with enhanced sensitivity for applications in fields such as biochemical research, health monitoring, and disease diagnosis.


Asunto(s)
Técnicas Biosensibles , Líquidos Corporales , Animales , Ratones , Técnicas Biosensibles/métodos , Piruvaldehído , Saliva , Transistores Electrónicos
20.
J Colloid Interface Sci ; 640: 647-655, 2023 Jun 15.
Artículo en Inglés | MEDLINE | ID: mdl-36893531

RESUMEN

Solar-driven water purification has been deemed as a cheap, green and renewable technology to mitigate water shortage and pollution. Herein, a biomass aerogel with hydrophilic-hydrophobic Janus structure has been prepared as solar water evaporator, which is achieved by partially modifying hydrothermal-treated loofah sponge (HLS) with reduced graphene oxide (rGO). It's a rare design philosophy that HLS serves as a substrate with large pores and hydrophilic properties to ensure continuous and effective water transport, and the hydrophobic layer with rGO modification guarantees good salt resistance in seawater desalination with high photothermal conversion efficiency. As a result, the obtained Janus aerogel, p-HLS@rGO-12, exhibits impressive solar-driven evaporation rates of 1.75 kg m-2h-1 and 1.54 kg m-2h-1 for pure water and seawater respectively, with good cycling stability in the evaporation process. Furthermore, p-HLS@rGO-12 also demonstrates outstanding photothermal degradation of rhodamine B (greater than98.8 % in 2 h) and sterilization of E. coli (nearly 100 % in 2 h). This work offers an unusual approach to achieve highly efficient solar-driven steam generation, seawater desalination, organic pollutant degradation, and water disinfection simultaneously. The prepared Janus biomass aerogel holds great potential application in the field of seawater desalination and wastewater purification.

SELECCIÓN DE REFERENCIAS
DETALLE DE LA BÚSQUEDA