An Expeditious Synthesis of Near-Infrared-Absorbing Imide-Based Graphene Nanoribbons and Their Photothermal Properties.

Graphene nanoribbons (GNRs) with low band gap and strong near-infrared (NIR) absorption are potential candidates for optoelectronic and biomedical applications. In this context, imide-based GNRs are promising, but there are no rational design principles that yield these robust GNRs with strong NIR absorption. Here, we demonstrate a rational synthesis route to achieve NIR-absorbing imide-based robust GNRs by exploring the bay region of polyperylene (PP).

Pyrazinoquinoxaline derivatives for flexible electronic devices: effect of the mechanical properties of the crystals on device durability.

Understanding the interplay between the molecular structure and material properties of emerging p-type organic semiconductors marks a significant stride in the advancement of molecular electronics. Among the array of promising materials, mechanically flexible single crystals of π-conjugated molecules stand out due to their potential for cutting-edge applications in organic electronics. Notably, derivatives of pyrazinoquinoxaline (PQ) are recognized as versatile building blocks for constructing π-conjugated systems, showcasing good semiconductor performance in organic field-effect transistors (OFETs).

Chitosan alchemy: transforming tissue engineering and wound healing.

Chitosan, a biopolymer acquired from chitin, has emerged as a versatile and favorable material in the domain of tissue engineering and wound healing. Its biocompatibility, biodegradability, and antimicrobial characteristics make it a suitable candidate for these applications. In tissue engineering, chitosan-based formulations have garnered substantial attention as they have the ability to mimic the extracellular matrix, furnishing an optimal microenvironment for cell adhesion, proliferation, and differentiation.

Crystal property engineering using molecular-supramolecular equivalence: mechanical property alteration in hydrogen bonded systems.

Most crystal engineering strategies exercised until now mainly rely on the alteration of weak non-covalent interactions to design structures and thus properties. Examples of mechanical property alteration for a given structure type are rare with only a few halogen bonded cases. The modular nature of halogen bonds with interaction strength tunability makes the task straightforward to obtain property differentiated crystals.

Deep Earth Chronicles: High-Pressure Investigation of Phenakite Mineral BeSiO.

Beryllium silicate, recognized as the mineral phenakite (BeSiO), is a prevalent constituent in Earth's upper mantle. This study employs density-functional theory (DFT) calculations to explore the structural, mechanical, dynamical, thermodynamic, and electronic characteristics of this compound under both ambient and high-pressure conditions. Under ideal conditions, the DFT calculations align closely with experimental findings, confirming the mechanical and dynamical stability of the crystalline structure.

Ligand-Induced Chirality in ClMBA SnI 2D Perovskite.

Chiral perovskites possess a huge applicative potential in several areas of optoelectronics and spintronics. The development of novel lead-free perovskites with tunable properties is a key topic of current research. Herein, we report a novel lead-free chiral perovskite, namely (R/S-)ClMBA SnI (ClMBA=1-(4-chlorophenyl)ethanamine) and the corresponding racemic system.

Radiotherapy, photodynamic therapy, and cryoablation-induced abscopal effect: Challenges and future prospects.

Local therapy modalities such as radiation therapy, photodynamic therapy, photothermal therapy, and cryoablation have been used to treat localized tumors for decades. The discovery of the abscopal effect causes a paradigm shift where local therapy also causes systemic effects and leads to the remission of nonirradiated tumors. The abscopal effect of radiation therapy, alone or in combination with other treatments, has been extensively studied over the last six decades.

Intramolecular CH-Hydrogen Bonding During the Dissociation of the Oxaphosphetane Intermediate Facilitates Z/E-Selectivity in Wittig Olefination.

Herein, DFT studies corroborating experimental results revealed that the shortest intramolecular hydrogen bonding distance of cis/trans-oxaphosphetane (OPA) oxygen with the CH-hydrogen of a triphenylphosphine phenyl ring provides good evidence for the attained olefin Z/E-selectivity in Wittig olefination of the studied examples. 2-Nitrobenzaldehyde, 3-nitrobenzaldehyde, 2-nitro-3-bromobenzaldehyde, 2-nitro-5-bromobenzaldehyde and 2-nitro-5-arylbenzaldehydes provided Z-nitrostilbenes with (2-chloro-4-hydroxy-3-methoxy-5-(methoxycarbonyl)benzyl) triphenylphosphonium chloride as the major products. However, 4-nitrobenzaldehyde and 2-nitro-6-bromobenzaldehydes furnished E-nitrostilbenes as the major products in high yields.

Planar Tetracoordinate Hydrogen: Pushing the Limit of Multicentre Bonding.

Among the list of planar tetracoordinate atoms, the smallest element hydrogen is missing. No experimental and theoretical evidence have ever been put forwarded. Herein, we introduce the first planar tetracoordinate hydrogen atom (ptH) in the global minimum geometry of In H cluster.

High-performance hybrid supercapacitor-immobilized Wells-Dawson polyoxometalates on activated carbon electrodes.

The nanofabrication of electroactive hybrid materials for next-generation energy storage devices is becoming increasingly significant as supercapacitor (SC) technology develops rapidly. The present study utilizes activated carbon (AC) templates reinforced with Wells-Dawson polyoxotungstates (POMs) to produce nanohybrid electrodes for high-performance supercapacitors. This study analyzes Wells-Dawson polyoxotungstates (PW) for the first time integrated with AC, and its structural and electrochemical performances are discussed.

Ar+ ArH Reactive Collisions of Astrophysical Interest: The Case of Ar.

The reactive collision between Ar and the ArH species has been investigated by means of quantum mechanical (QM), quasiclassical trajectories (QCT) and statistical quantum mechanical (SQM) approaches. Reaction probabilities, cross sections as a function of the energy and rate constants in terms of the temperature have been obtained. Cumulative distributions as a function of the collision time and the inspection of selected QCT corresponding to specific dynamical mechanisms have been analysed.

A Sustainable Approach for Graphene Oxide-supported Metal N-Heterocyclic Carbenes Catalysts.

Sustainable noble metal-N-heterocyclic carbenes (NHC's) are a topic of arising concern in both the chemical industry and the academic community due to a growing consciousness of environmental pollution and scarcity. Recovering and reusing homogeneous catalysts from the reaction mixture requires a tremendous amount of capital investment in the chemical manufacturing industry. Heterogeneous catalysts are proved to have better functional groups tolerance; however, catalysts support largely influences the active catalyst sites to affect catalyst efficiency and selectivity.

Cooperative Supramolecular Polymerization Guided by Dispersive Interactions.

Cooperative supramolecular polymerization is important for the synthesis of functional supramolecular homo and block-copolymers of π-systems. Current strategies indicate the need of strong hydrogen bonding (H-bonding) and/or dipolar interactions in the π-systems to achieve cooperativity. In sharp contrast, here we report the cooperative supramolecular polymerization in alkyl chain substituted perylene diimides (alkyl PDIs) driven by dispersive interactions with molecular level understanding.

Giant spin pumping at the ferromagnet (permalloy) - organic semiconductor (perylene diimide) interface.

Pure spin current based devices have attracted great interest in recent days. Spin current injection into non-magnetic materials is essential for the design and development of such pure spin current based devices. In this context, organic semiconductors (OSCs) can be potential non-magnetic materials over widely explored heavy metals.

Aluminium alkyl complexes supported by imino-phosphanamide ligand as precursors for catalytic guanylation reactions of carbodiimides.

Herein, we report the synthesis, characterisation, and application of three aluminium alkyl complexes, [κ-{NHIP(Ph)NDipp}AlMe] (R = Dipp (2a), Mes (2b); Bu (2c), Dipp = 2,6-diisopropylphenyl, Mes = mesityl, and Bu = -butyl), supported by unsymmetrical imino-phosphanamide [NHIP(Ph)NDipp] [R = Dipp (1a), Mes (1b), Bu (1c)] ligands as molecular precursors for the catalytic synthesis of guanidines using carbodiimides and primary amines. All the imino-phosphanamide ligands 1a, 1b and 1c were prepared in good yield from the corresponding N-heterocyclic imine (NHI) with phenylchloro-2,6-diisopropylphenylphosphanamine, PhP(Cl)NHDipp. The aluminium alkyl complexes 2a, 2b and 2c were obtained in good yield upon completion of the reaction between trimethyl aluminium and the protic ligands 1a, 1b and 1c in a 1 : 1 molar ratio in toluene the elimination of methane, respectively.

Modulating catalytic activity of a modified flavin analogue judicially positioned metal ion toward aerobic sulphoxidation.

This manuscript describes the synthesis, spectroscopic and crystallographic characterization of a cadmium complex of 10-propoylisoalloxazine-7-carboxylic acid (Flc-Cd). Catalytic activity of Flc-Cd towards aerobic sulphoxidation reaction was investigated in the presence of l-ascorbic acid as the reducing agent. Notably the neutral un-metalated flavin analogue did not show any significant catalytic activity.

Alkali and Alkaline Earth Metal Complexes as Versatile Catalysts for Ring-Opening Polymerization of Cyclic Esters.

Biodegradable polyesters such as poly(ϵ-caprolactone) (PCL) and poly(lactic acid) (PLA) have been considered for use in several areas, such as drug delivery devices, sutures, tissue engineering, and GBR membranes, due to its bio-renewability, biodegradability, and biocompatibility. Several synthetic techniques for the preparation of polyesters have been reported in the literature, amongst which the ring-opening polymerization (ROP) of cyclic esters is the most efficient. A convenient approach to access iso-selective PLAs is polymerization of racemic lactide (rac-LA), which shows excellent stereoregularity without the need for costly chiral auxiliaries or ligands.

Antimony(III) Halide-Assisted Stereospecific Coordination of Thione.

The antimony halide-aided stereospecific coordination of a cyclic thiourea-type of ligand is observed for the first time. The antimony(III) imidazole thione complexes syn-[(L )SbCl ] (syn-1) and anti-[(L )SbBr ] (anti-2) have been synthesized in very good yield by the reaction between the spatially defined steric impact ligand [(IPaul)S] (L ) ([(IPaul)S]=1,3-bis(2,4-methyl-6-diphenyl phenyl)imidazole thione) and corresponding antimony halide. The stereoselective formation of complexes syn-1 and anti-2 has been confirmed by both NMR and single-crystal X-ray diffraction studies.

HspB5 protects mouse neural stem/progenitor cells from paraquat toxicity.

Introduction: HspB5 (αB-crystallin) is known to be involved in a variety of cellular functions, including, protection of cells from oxidative damage and inhibiting apoptosis. Neural stem/progenitor cells (NSPCs) have significant therapeutic value, especially in the NSC/NPC transplantation therapy. However, the viability of the transplanted NSPCs remains low because of various factors, including oxidative stress.

Do COVID-19 cases follow a similar transition path? Evidence from Indian states.

This paper assesses the convergence of COVID-19 cases by obtaining transition paths of Indian states covering the period from August 01 to October 31, 2020. The results based on Phillips-Sul test show evidence of different transition paths. These findings are useful from the policy perspective, particularly to see whether existing efforts made for stopping the spread of COVID-19 by states/central governments are effective.

Effect of substituents and promoters on the Diels-Alder cycloaddition reaction in the biorenewable synthesis of trimellitic acid.

An efficient route to produce oxanorbornene, a precursor for the production of bio-based trimellitic acid (TMLA) the Diels-Alder (DA) reaction of biomass-derived dienes and dienophiles has been proposed by utilizing density functional theory (DFT) simulations. It has been suggested that DA reaction of dienes such as 5-hydroxymethyl furfural (HMF), 2,5-dimethylfuran (DMF), furan dicarboxylic acid (FDCA) and biomass-derived dienophiles (ethylene derivatives , acrolein, acrylic acid, ) leads to the formation of an intermediate product oxanorbornene, a precursor for the production of TMLA. The activation barriers for the DA reaction were correlated to the type of substituent present on the dienes and dienophiles.

A poly(3,4-propylenedioxythiophene)/carbon micro-sphere-bismuth nanoflake composite and multifunctional Co-doped graphene for a benchmark photo-supercapacitor.

Efficient storage of sunlight in the form of charge is accomplished by designing and implementing a photo-supercapacitor (PSC) with a novel, cost-effective architecture. Sulfur (S)- and nitrogen (N)-doped graphene particles (SNGPs) are incorporated in a TiO/CdS photoanode. The beneficial effects of SNGPs such as the high electrical conductance promoting fast electron transfer to TiO, a suitably positioned conduction band that maximizes charge separation, and its' ability to absorb red photons translate into a power conversion efficiency of 9.

Visible light-mediated photocatalytic oxidative cleavage of activated alkynes hydroamination: a direct approach to oxamates.

The direct oxidative cleavage of activated alkynes hydroamination has been described using organic photocatalyst under visible-light irradiation at room temperature. In this reaction, the single electron oxidation of an formed enamine followed by radical coupling with an oxidant finally delivers the oxamate. The key features of this photocatalytic reaction are the mild reaction conditions, metal-free organic dye as a photocatalyst, and TBHP playing a dual role as "O" source and for the regeneration of the photocatalyst.

Novel ultra-small Pd NPs on SOS spheres: a new catalyst for domino intramolecular Heck and intermolecular Sonogashira couplings.

We report a novel catalyst Pd/SOS that catalyzes the dual C-C bond forming coupling of an iodoarene moiety with an internal alkene and an external alkyne an intramolecular Heck reaction, followed by an intermolecular Sonogashira reaction, respectively. The catalyst was characterized using XRD, IR, XPS, SEM and TEM analyses. Notably, for the first time, cheap and readily available new silica [nanosilica on microsilica (SOS)] material-supported ultra-small Pd nanoparticles (2.

Nanostructure domains, voids, and low-frequency spectra in binary mixtures of ,-dimethylacetamide and ionic liquids with varying cationic size.

Classical molecular dynamics (MD) simulations were carried out on binary mixtures of ,-dimethylacetamide (DMA) with hydroxide based ammonium ionic liquids (ILs), tetraethylammonium hydroxide (TEAH), tetrapropylammonium hydroxide (TPAH), tetrabutylammonium hydroxide (TBAH), at three different mole fractions of IL ( ). The solvation of DMA molecules by ions of ILs was studied by the combined distribution function (CDF). CDFs show that anions have strong correlations with the DMA due to the hydrogen bonding.