Bioaugmentation to enhance degradation of acetochlor and pretilachlor in water and sediment under anaerobic conditions.

Chloroacetamide herbicides are widely used to control weeds globally. In this study, three acetochlor-degrading mixed cultures using nitrate, sulfate, and ferric iron as electron acceptors were isolated and determined for their degradation under anaerobic conditions. The degradation rates of all mixed pure cultures in a mineral medium were not much different at 1 µM, while the rates at 50 µM were in the order: mixed culture using nitrate > sulfate > ferric iron as electron acceptors, giving 6.

The genus Psyttalia Walker (Hymenoptera, Braconidae) in Vietnam: descriptions of seven new species and their host information.

The genus Psyttalia Walker is recorded for the first time from Vietnam with seven species described and fully illustrated as new for science, viz. Psyttalia antenervis Long, sp. nov.

Addition to the review of the genus Wroughtonia Cameron, 1899 (Hymenoptera, Braconidae, Helconinae) from Vietnam: Description of two new species.

In the present study, the genus Wroughtonia Cameron from Vietnam is revised with two new species described and illustrated, viz. Wroughtonia phiaoaca Long, sp. nov.

Exploring the versatility of MoSe/WS heterostructures.

Two-dimensional materials and their combined heterostructures have paved the way for numerous next-generation electronic and optoelectronic applications. Herein, we performed first principles calculations to computationally design the MoSe/WS heterostructure and consider its geometric structure, electronic properties and contact behavior, as well as the effects of the electric fields and strain. Our results show that the MoSe/WS heterostructure is energetically, thermodynamically and mechanically stable.

Optical, magnetic, and transport properties of two-dimensional III-nitride semiconductors (AlN, GaN, and InN) due to acoustic phonon scattering.

In this paper, the magneto-optical transport (MOT) properties of III-nitride Pöschl-Teller quantum well (QW) semiconductors, including AlN, GaN, and InN, resulting from the acoustic phonon interaction are thoroughly investigated and compared by applying the technique of operator projection. In particular, a comparison is made between the Pöschl-Teller QW results and the square QW ones. The findings demonstrate that the MOT properties of III-nitride QW semiconductors resulting from acoustic phonon scattering are strongly influenced by the quantum system (QS) temperature, applied magnetic field, and QW width.

Piezoelectric GaGeX (X = N, P, and As) semiconductors with Raman activity and high carrier mobility for multifunctional applications: a first-principles simulation.

In the present work, we propose GaGeX (X = N, P, As) monolayers and explore their structural, vibrational, piezoelectric, electronic, and transport characteristics for multifunctional applications based on first-principles simulations. Our analyses of cohesive energy, phonon dispersion spectra, and molecular dynamics simulations indicate that the three proposed structures have good energetic, dynamic, and thermodynamic stabilities. The GaGeX are found as piezoelectric materials with high piezoelectric coefficient of -1.

Unveiling Versatile Electronic Properties and Contact Features of Metal-Semiconductor Graphene/γ-GeSSe van der Waals Heterostructures.

Recently, searching for a metal-semiconductor junction (MSJ) that exhibits low-contact resistance has received tremendous consideration, as they are essential components in next-generation field-effect transistors. In this work, we design a MSJ by integrating two-dimensional (2D) graphene as the metallic electrode and 2D Janus γ-GeSSe as the semiconducting channel using first-principles simulations. All the graphene/γ-GeSSe MSJs are predicted to be energetically, mechanically, and thermodynamically stable, characterized by the weak van der Waals (vdW) interactions.

Achieving ultra-low contact barriers in MX/SiH (M = Nb, Ta; X = S, Se) metal-semiconductor heterostructures: first-principles prediction.

Minimizing the contact barriers at the interface, forming between two different two-dimensional metals and semiconductors, is essential for designing high-performance optoelectronic devices. In this work, we design different types of metal-semiconductor heterostructures by combining 2D metallic MX (M = Nb, Hf; X = S, Se) and 2D semiconductor SiH and investigate systematically their electronic properties and contact characteristics using first principles calculations. We find that all the MX/SiH (M = Nb, Ta; X = S, Se) heterostructures are energetically stable, suggesting that they could potentially be synthesized in the future.

Large piezoelectric responses and ultra-high carrier mobility in Janus HfGeZH (Z = N, P, As) monolayers: a first-principles study.

Breaking structural symmetry in two-dimensional layered Janus materials can result in enhanced new phenomena and create additional degrees of piezoelectric responses. In this study, we theoretically design a series of Janus monolayers HfGeZH (Z = N, P, As) and investigate their structural characteristics, crystal stability, piezoelectric responses, electronic features, and carrier mobility using first-principles calculations. Phonon dispersion analysis confirms that HfGeZH monolayers are dynamically stable and their mechanical stability is also confirmed through the Born-Huang criteria.

Essential Oil and Waste Hydrosol of Ocimum Tenuiflorum L.: A Low-Cost Raw Material Source of Eugenol, Botanical Pesticides, and Therapeutic Potentiality.

In this study, essential oils and waste hydrosols of leaves of Ocimum tenuiflorum in four different geographical locations were extracted by hydrodistillation method and using gas chromatography/mass spectrometry (GC/MS) for chemical composition analysis. All four essential oil samples contained the main components (E)-β-caryophyllene (27.8-49.

Neuropilin-1 Protein May Serve as a Receptor for SARS-CoV-2 Infection: Evidence from Molecular Dynamics Simulations.

The binding of the virus to host cells is the first step in viral infection. Human cell angiotensin converting enzyme 2 (ACE2) is the most popular receptor for severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), while other receptors have recently been observed in experiments. Neuropilin-1 protein (NRP1) is one of them, but the mechanism of its binding to the wild type (WT) and different variants of the virus remain unclear at the atomic level.

First-principles investigations of the controllable electronic properties and contact types of type II MoTe/MoS van der Waals heterostructures.

Two-dimensional (2D) van der Waals (vdW) heterostructures are considered as promising candidates for realizing multifunctional applications, including photodetectors, field effect transistors and solar cells. In this work, we performed first-principles calculations to design a 2D vdW MoTe/MoS heterostructure and investigate its electronic properties, contact types and the impact of an electric field and in-plane biaxial strain. We find that the MoTe/MoS heterostructure is predicted to be structurally, thermally and mechanically stable.

Electron-phonon coupling effect on the optical absorption of gated β-borophene.

This study addresses the effect of electron-phonon coupling (EPC) on the electro-optical properties of gated β-borophene. The focus is on how EPC influences the orbital hybridization of boron atoms, particularly within the Bariśic-Labbe-Friedel-Su-Schrieffer-Heeger framework, and considers the role of gate electrodes in this process. The results reveal a redshift in the optical spectrum only when there is positive feedback from one electrode on EPC.

Electronic phase transition in bilayer 6 borophene.

In this study, using the tight-binding model and Green's function technique, we investigate potential electronic phase transitions in bilayer 6 borophene under the influence of external stimuli, including a perpendicular electric field, electron-hole coupling between sublayers (excitonic effects), and dopants. Our focus is on key electronic properties such as the band structure and density of states. Our findings reveal that the pristine lattice is metal with Dirac cones around the Fermi level, where their intersection forms a nodal line.

Simultaneous electrochemical determination of uric acid and hypoxanthine at a TiO/graphene quantum dot-modified electrode.

A TiO/graphene quantum dots composite (TiO/GQDs) obtained by in situ synthesis of GQDs, derived from coffee grounds, and peroxo titanium complexes was used as electrode modifier in the simultaneous electrochemical determination of uric acid and hypoxanthine. The TiO/GQDs material was characterized by photoluminescence, X-ray diffraction, Raman spectroscopy, high-resolution transmission electron microscopy, and energy-dispersive X-ray mapping. The TiO/GQDs-GCE exhibits better electrochemical activity for uric acid and hypoxanthine than GQDs/GCE or TiO/GCE in differential pulse voltammetry (DPV) measurements.

Degradation of pretilachlor and fenclorim and effects of these compounds on bacterial communities under anaerobic condition.

Pretilachlor and safener fenclorim are the main components of herbicides widely applied to control weeds. Although some pure cultures of bacteria and fungi which degraded these compounds under aerobic conditions were isolated, no isolated pretilachlor- and fenclorim-degrading bacterial strains under anaerobic condition had been available. In this study, the degradation of these compounds and the effects of them on bacterial community structures were investigated under anaerobic conditions.

SARS-CoV-2 Omicron Subvariants Do Not Differ Much in Binding Affinity to Human ACE2: A Molecular Dynamics Study.

The emergence of the variant of concern Omicron (B.1.1.

Controllable electronic properties, contact barriers and contact types in a TaSe/WSe metal-semiconductor heterostructure.

Two-dimensional (2D) metallic TaSe and semiconducting WSe materials have been successfully fabricated in experiments and are considered as promising contact and channel materials, respectively, for the design of next-generation electronic devices. Herein, we design a metal-semiconductor (M-S) heterostructure combining metallic TaSe and semiconducting WSe materials and investigate the atomic structure, electronic properties and controllable contact types of the combined TaSe/WSe M-S heterostructure using first-principles calculations. Our results reveal that the TaSe/WSe M-S heterostructure can adopt four different stable stacking configurations, all of which exhibit enhanced elastic constants compared to the constituent monolayers.

Theoretical prediction of electronic properties and contact barriers in a metal/semiconductor NbS/Janus MoSSe van der Waals heterostructure.

The emergence of van der Waals (vdW) heterostructures, which consist of vertically stacked two-dimensional (2D) materials held together by weak vdW interactions, has introduced an innovative avenue for tailoring nanoelectronic devices. In this study, we have theoretically designed a metal/semiconductor heterostructure composed of NbS and Janus MoSSe, and conducted a thorough investigation of its electronic properties and the formation of contact barriers through first-principles calculations. The effects of stacking configurations and the influence of external electric fields in enhancing the tunability of the NbS/Janus MoSSe heterostructure are also explored.

The identity of Chivinia Shestakov (Hymenoptera: Braconidae, Braconinae), with description of a similar species from the Oriental region.

A peculiar new species from Vietnam (Bracon (Pseudochivinia) tobiasi Long & van Achterberg, sp. nov.) is described and illustrated.

Review of the genus Arhaconortus Belokobylskij, 2000 (Hymenoptera: Braconidae: Doryctinae), with description of three new species from Vietnam.

In the present study, the genus Arhaconotus is revised and keyed with three species of this genus from Vietnam were described and fully illustrated as new for science, viz.Arhaconotus belokobylskiji Long,sp. nov.

Tunable Electronic Properties, Carrier Mobility, and Contact Characteristics in Type-II BSe/ScCF Heterostructures toward Next-Generation Optoelectronic Devices.

Conducting heterostructures have emerged as a promising strategy to enhance physical properties and unlock the potential application of such materials. Herein, we conduct and investigate the electronic and transport properties of the BSe/ScCF heterostructure using first-principles calculations. The BSe/ScCF heterostructure is structurally and thermodynamically stable, indicating that it can be feasible for further experiments.