Boosting charge separation in organic photovoltaics: unveiling dipole moment variations in excited non-fullerene acceptor layers.

The power conversion efficiency (PCE) of organic photovoltaics (OPVs) has reached more than 19% due to the rapid development of non-fullerene acceptors (NFAs). To compete with the PCEs (26%) of commercialized silicon-based inorganic photovoltaics, the drawback of OPVs should be minimized. This drawback is the intrinsic large loss of open-circuit voltage; however, a general approach to this issue remains elusive.

Visible-light-induced direct C-H alkylation of polycyclic aromatic hydrocarbons with alkylsulfones.

Polycyclic aromatic hydrocarbons (PAHs) are fragments of graphene that have attracted considerable attention as a new class of carbon-based materials. The functionalization of edge positions in PAHs is important to enable the modulation of physical and chemical properties essential for various applications. However, straightforward methods that combine functional group tolerance and regioselectivity remain sought after.

Development of an ion gel-based CO separation membrane composed of Pebax 1657 and a CO-philic ionic liquid.

A tough ion gel membrane containing a CO-philic ionic liquid, 1-ethyl-3-methylimidazolium tricyanomethanide ([Emim][C(CN)]), was developed, and its CO permeation properties were evaluated under humid conditions at elevated temperatures. Pebax 1657, which is a diblock copolymer composed of a polyamide block and a polyethylene oxide block, was used as the gel network of the ion gel membrane to prepare a tough ion gel with good ionic liquid-holding properties. The polyamide block formed a semicrystalline structure in [Emim][C(CN)] to toughen the ion gel membrane an energy dissipation mechanism.

Molecular Aggregation Strategy for Inhibiting DNases.

This study highlights the novel potential of molecular aggregates as inhibitors of a disease-related protein. Enzyme inhibitors have been studied and developed as molecularly targeted drugs and have been applied for cancer, autoimmune diseases, and infections. In many cases, enzyme inhibitors that are used for therapeutic applications interact directly with enzymes in a molecule-to-molecule manner.

High-Performance Isotropic Thermo-Electrochemical Cells Using Agar-Gelled Ferricyanide/Ferrocyanide/Guanidinium.

An isotropic thermo-electrochemical cell is introduced with a high Seebeck coefficient ( ) of 3.3 mV K that uses a ferricyanide/ferrocyanide/guanidinium-based agar-gelated electrolyte. A power density of about 20 µW cm is achieved at a temperature difference of about 10 K, regardless of whether the heat source is on the top or bottom section of the cell.

Recent progress in synthesis and application of furoxan.

This review highlights recent developments in the synthesis and application of furoxan. The chemistry of furoxan is relatively underdeveloped compared to that of other heterocycles owing to its difficult synthesis, which is ascribed to the labile nature of this molecule under various reaction conditions. Nevertheless, recent studies have conducted a variety of bond-forming reactions on the furoxan ring a post-ring introduction of substituents (PRIS) strategy.

Thermodynamic modeling of binary mixtures of ethylenediamine with water, methanol, ethanol, and 2-propanol by association theory.

Association theories by statistical associating fluid theory (SAFT) and cubic plus association (CPA) equation of states (EoS) have effectively handled various thermodynamic purposes thus far; they consider hydrogen bonding effects in associating compounds (those with hydrogen bonds such as water and alcohols) in a proper way. The objective of this work is to thermodynamically undertake the study of ethylenediamine (EDA)-water, EDA-methanol, EDA-ethanol, and EDA-2-propanol binary mixtures in a manner to be useful for designing separation processes by CPA EoS. Accordingly, CPA EoS was applied to model vapor-liquid equilibrium (VLE) of several practical binary mixtures including EDA-water, EDA-methanol, EDA-ethanol, and EDA-2-propanol.

Covalent immobilization of gold nanoparticles on a plastic substrate and subsequent immobilization of biomolecules.

We propose a novel approach to stably immobilize gold nanoparticles (AuNPs) on a plastic substrate and demonstrate that the modified substrate is also capable of immobilizing biomolecules. To immobilize citrate-capped AuNPs, an acrylic substrate was simply dip-coated in a functional polymer solution to decorate the outermost surface with amino groups. Electrostatic interactions between AuNPs and the amino groups immobilized the AuNPs with a high density.

Design and synthesis of proton-dopable organic semiconductors.

This paper shows how protonated 3,4-ethylene dioxythiophene moieties can be used as an end group to make organic conductors. An organic semiconductor 2,5-bis(5-(2,3-dihydrothieno[3,4-][1,4]dioxin-5-yl)-3-dodecylthiophen-2-yl)thieno[3,2-]thiophene is designed and synthesized. This molecule could be doped by protonic acid in both solution and solid-state, resulting in a broad absorption in the near-infrared range corresponding to polaron and bipolaron absorption.

Manipulation of charge carrier flow in BiNbOCl nanoplate photocatalyst with metal loading.

Separation of photoexcited charge carriers in semiconductors is important for efficient solar energy conversion and yet the control strategies and underlying mechanisms are not fully established. Although layered compounds have been widely studied as photocatalysts, spatial separation between oxidation and reduction reaction sites is a challenging issue due to the parallel flow of photoexcited carriers along the layers. Here we demonstrate orthogonal carrier flow in layered BiNbOCl by depositing a Rh cocatalyst at the edges of nanoplates, resulting in spatial charge separation and significant enhancement of the photocatalytic activity.

Molecular recognition of SARS-CoV-2 spike glycoprotein: quantum chemical hot spot and epitope analyses.

Due to the COVID-19 pandemic, researchers have attempted to identify complex structures of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) spike glycoprotein (S-protein) with angiotensin-converting enzyme 2 (ACE2) or a blocking antibody. However, the molecular recognition mechanism-critical information for drug and antibody design-has not been fully clarified at the amino acid residue level. Elucidating such a microscopic mechanism in detail requires a more accurate molecular interpretation that includes quantum mechanics to quantitatively evaluate hydrogen bonds, XH/π interactions (X = N, O, and C), and salt bridges.

Effectiveness of the heartbeat interval error and compensation method on heart rate variability analysis.

The purpose of this study is to evaluate the effectiveness of heartbeat error and compensation methods on heart rate variability (HRV) with mobile and wearable sensor devices. The HRV analysis extracts multiple indices related to the heart and autonomic nervous system from beat-to-beat intervals. These HRV analysis indices are affected by the heartbeat interval mismatch, which is caused by sampling error from measurement hardware and inherent errors from the state of human body.

The effects of fipronil on emotional and cognitive behaviors in mammals.

Fipronil is a phenylpyrazole insecticide that is widely used as a pesticide and a veterinary drug, although studies suggest that it could be toxic to mammals. The objectives of this study were to examine the pharmacokinetic profile of fipronil in mice, dogs, and cats, and to evaluate its effects on emotional and cognitive behaviors of dogs and cats using the data obtained from mice. The assessment of in vivo kinetics of fipronil was conducted in mice and dogs.

Interaction analyses of SARS-CoV-2 spike protein based on fragment molecular orbital calculations.

At the stage of SARS-CoV-2 infection in human cells, the spike protein consisting of three chains, A, B, and C, with a total of 3300 residues plays a key role, and thus its structural properties and the binding nature of receptor proteins to host human cells or neutralizing antibodies has attracted considerable interest. Here, we report on interaction analyses of the spike protein in both closed (PDB-ID: 6VXX) and open (6VYB) structures, based on large-scale fragment molecular orbital (FMO) calculations at the level of up to the fourth-order Møller-Plesset perturbation with singles, doubles, and quadruples (MP4(SDQ)). Inter-chain interaction energies were evaluated for both structures, and a mutual comparison indicated considerable losses of stabilization energies in the open structure, especially in the receptor binding domain (RBD) of chain-B.

Hydroxychalcone dyes that serve as color indicators for pH and fluoride ions.

A chalcone, which is composed of two aromatic rings bridged by an α,β-unsaturated carbonyl group, exhibits a variety of biological activities. With an objective to develop a novel chalcone-based functional dye, we have synthesized a chalcone diol CLN1, bearing two OH groups at the 2-positions on both phenyl rings, as well as reference compounds CLN2-6, and found that it serves as color indicators for pH and fluoride ions. CLN1 showed a vivid color change from colorless to yellow (halochromism) in water at pH ≥ 10.

Inorganic/organic nanocomposite ion gels with well dispersed secondary silica nanoparticles.

We have previously reported tough inorganic/organic nanocomposite (NC) ion gels composed of silica particles and poly(,-dimethylacrylamide) (PDMAAm) networks and a large amount of ionic liquid. In this study, the network structure and toughening mechanism of NC ion gels were investigated. The NC ion gels showed characteristic mechanical properties; the stress was significantly increased at a highly elongated state.

Electron spin polarization generated by transport of singlet and quintet multiexcitons to spin-correlated triplet pairs during singlet fissions.

Singlet fission (SF) is expected to exceed the Shockley-Queisser theoretical limit of efficiency of organic solar cells. Transport of spin-entanglement in the triplet-triplet pair state one singlet exciton is a promising phenomenon for several energy conversion applications including quantum information science. However, direct observation of electron spin polarization by transport of entangled spin-states has not been presented.

Tough and stretchable inorganic/organic double network ion gel containing gemini-type ionic liquid as a multiple hydrogen bond cross-linker.

Tough and stretchable inorganic/organic double network ion gels containing gemini-type ionic liquids with two OH groups in the di-cation, which can work as multiple hydrogen bond-based weak cross-linkers of the gel networks, are developed.

Quantification of azide groups on a material surface and a biomolecule using a clickable and cleavable fluorescent compound.

Here, we propose a novel method for quantifying azide groups on a solid surface and a protein using a clickable and cleavable fluorescent compound. The clickable and cleavable fluorescent compound conjugates with the azide groups on the material surface and the fluorophore is then liberated into the solvent a cleavage reaction, which can be simply quantified with a conventional fluorometer.

One-step fabrication of polyamide 6 hollow fibre membrane using non-toxic diluents for organic solvent nanofiltration.

We developed new polyamide 6 hollow fibre membranes using a green process to fabricate cutting-edge "organic solvent nanofiltration" membranes by one-step spinning process for organic solvent separation. This economic and sustainable membrane showed good rejection and durability performance in various organic solvents.

Cross-Sectional Imaging of Boundary Lubrication Layer Formed by Fatty Acid by Means of Frequency-Modulation Atomic Force Microscopy.

To observe in situ the adsorption of fatty acid onto metal surfaces, cross-sectional images of the adsorption layer were acquired by frequency-modulation atomic force microscopy (FM-AFM). Hexadecane and palmitic acid were used as the base oil and typical fatty acid, respectively. A Cu-coated silicon wafer was prepared as the target substrate.

The Impact of the Polymer Chain Length on the Catalytic Activity of Poly(N-vinyl-2-pyrrolidone)-supported Gold Nanoclusters.

Poly(N-vinyl-2-pyrrolidone) (PVP) of varying molecular weight (M  = 40-360 kDa) were employed to stabilize gold nanoclusters of varying size. The resulting Au:PVP clusters were subsequently used as catalysts for a kinetic study on the sized-dependent aerobic oxidation of 1-indanol, which was monitored by time-resolved in situ infrared spectroscopy. The obtained results suggest that the catalytic behaviour is intimately correlated to the size of the clusters, which in turn depends on the molecular weight of the PVPs.

β-Glucan from Saccharomyces cerevisiae reduces lipopolysaccharide-induced inflammatory responses in RAW264.7 macrophages.

Background: β-Glucans obtained from fungi, such as baker's yeast (Saccharomyces cerevisiae)-derived β-glucan (BBG), potently activate macrophages through nuclear factor κB (NFκB) translocation and activation of its signaling pathways. The mechanisms by which β-glucans activate these signaling pathways differ from that of lipopolysaccharide (LPS). However, the effects of β-glucans on LPS-induced inflammatory responses are poorly understood.

Effect of H89 on the meiotic resumption of pig oocytes.

Purpose: We studied the effect of H89, an inhibitor of protein kinase A (PKA), on the meiotic resumption of pig oocytes.

Methods: Pig cumulus-oocyte complexes (COCs) and denuded oocytes (DOs) were cultured for 27 h to induce meiotic resumption. COCs and DOs were exposed to H89 for different periods.

Green and black tea suppress hyperglycemia and insulin resistance by retaining the expression of glucose transporter 4 in muscle of high-fat diet-fed C57BL/6J mice.

To investigate the preventive effects of tea on hyperglycemia and insulin resistance, male C57BL/6J mice were given a high-fat diet containing 29% lard and also green or black tea ad libitum for 14 weeks. Both teas suppressed body weight gain and deposition of white adipose tissue caused by the diet. In addition, they improved hyperglycemia and glucose intolerance by stimulating glucose uptake activity accompanied by the translocation of glucose transporter (GLUT) 4 to the plasma membrane in muscle.