The impact of digital transformation on corporate total factor productivity.

Introduction: Corporates need to break through the dilemma of system and efficiency with the help of digital transformation in the digital economy era. This paper aims to examine the influence of digital transformation on corporate total factor productivity by investigating whether and how corporate technical cooperation and ESG performance mediate and moderate the relationship between them.

Methods: This study choose Chinese A-share listed manufacturing firms from 2016-2020 as the research sample and use the FGLS regression model to test the proposed hypotheses.

Improved speciation profiles and estimation methodology for VOCs emissions: A case study in two chemical plants in eastern China.

Volatile organic compounds (VOCs) poses a serious health risk through not only their own toxicity but also their role as precursors of ozone and secondary organic aerosols. The chemical industry, as one of the pillar industries in eastern China, is a key source of VOCs emissions. In this study, speciated VOCs emissions were measured in two chemical plants in eastern China.

Exotic Spectra and Lattice Vibrations of Ice X Using the DFT Method.

A typical vibrational spectrum in the ice phase has four separate bands: Translation, libration, bending, and stretching. Ice X, the final ice phase under high pressure, shows an exotic vibrational spectrum. Based on harmonic approximation, an ideal crystal of ice X has one peak, at 998 cm, for Raman scattering and two peaks, at 450 cm and 1507 cm, for infrared absorption in this work.

DFT Simulations of the Vibrational Spectrum and Hydrogen Bonds of Ice XIV.

It is always a difficult task to assign the peaks recorded from a vibrational spectrum. Herein, we explored a new pathway of density functional theory (DFT) simulation to present three kinds of spectra of ice XIV that can be referenced as inelastic neutron scattering (INS), infrared (IR), and Raman experimental spectrum. The INS spectrum is proportional to the phonon density of states (PDOS) while the photon scattering signals reflect the normal vibration frequencies near the Brillouin zone (BZ) center.

A hierarchical CoFeS/reduced graphene oxide composite for highly efficient counter electrodes in dye-sensitized solar cells.

Transition metal sulfides are a kind of potential candidates for efficient and stable CE materials in DSSCs due to their good electrocatalytic ability and stability towards I reduction. However, the low conductivity of sulfides is harmful for the electron collection and transfer process, and the absorption/desorption and diffusion process of I/I should be optimized to achieve high electrocatalytic activity over Pt. Herein, a hierarchical CoFeS/reduced graphene oxide (CoFeS/rGO) composite was rationally designed and prepared via the in situ conversion of CoFe layer double hydroxide anchored on rGO.

Origin of two modes of non-isothermal crystallization of glasses produced by milling.

Purpose: To mechanistically explain the origin of two distinct non-isothermal crystallization modes, single-peak (unimodal) and two-peak (bimodal), of organic glasses.

Methods: Glasses of ten organic molecules were prepared by melt-quenching and cryogenic milling of crystals. Non-isothermal crystallization of glasses was monitored using differential scanning calorimetry and powder X-ray diffractometry.

Maintenance of supersaturation I: indomethacin crystal growth kinetic modeling using an online second-derivative ultraviolet spectroscopic method.

Formulations that produce supersaturated solutions after their oral administration have received increased attention as a means to improve bioavailability of poorly water-soluble drugs. Although it is widely recognized that excipients can prolong supersaturation, the mechanisms by which these beneficial effects are realized are generally unknown. Difficulties in separately measuring the kinetics of nucleation and crystal growth have limited progress in understanding the mechanisms by which excipients contribute to the supersaturation maintenance.

Miscibility/stability considerations in binary solid dispersion systems composed of functional excipients towards the design of multi-component amorphous systems.

The correlations between amorphous miscibility/physical stability of binary solid dispersions (a highly crystalline additive-an amorphous polymer) and the physicochemical properties of the components were investigated. Crystalline functional excipients including surfactants, organic acids, and organic bases were prepared in binary solid dispersions in amorphous polymers by solvent evaporation method. Amorphous miscibility and physical stability of the systems were characterized using polarized light microscope, differential scanning calorimeter, and powder X-ray diffraction.

Drug-excipient complexation in lipid based delivery systems: an investigation of the Tipranavir-1,3-dioctanolyglycerol complex.

This report describes the solubility properties of a poorly soluble drug-excipient complex in a lipid based formulation. Tipranavir (TPV) was used as the model drug and 1,3-dioctanoylglycerol (DOG) as the excipient. The TPV-DOG complex was prepared by dissolving TPV and DOG in ethanol at 60 degrees C followed by evaporation of ethanol.

Factors affecting the formation of eutectic solid dispersions and their dissolution behavior.

The objective of this work was to obtain a fundamental understanding of the factors, specifically the properties of poorly water-soluble drugs and water-soluble carriers, which influence predominantly, the formation of eutectic or monotectic crystalline solid dispersion and their dissolution behavior. A theoretical model was applied on five poorly water-soluble drugs (fenofibrate, flurbiprofen, griseofulvin, naproxen, and ibuprofen) having diverse physicochemical properties and water-soluble carrier (polyethylene glycol (PEG) 8000) for the evaluation of these factors. Of these, two drugs, fenofibrate and flurbiprofen, and PEG of different molecular weights (3350, 8000, and 20000), were chosen as model drugs and carriers for further investigation.

Use of texture analysis to study hydrophilic solvent effects on the mechanical properties of hard gelatin capsules.

The aim of this work was to explore texture analysis for quantitative evaluation of the effect of hydrophilic solvent systems used as capsule fills on the mechanical properties of hard gelatin capsules. For this purpose, a texture analyzer (Stable Micro Systems, model TA.XT Plus) equipped with a capsule separating rod fixture was used.

A mechanistic investigation of an amorphous pharmaceutical and its solid dispersions, part II: molecular mobility and activation thermodynamic parameters.

Purpose: The ability of TSDC to characterize further amorphous materials beyond that possible with DSC was presented in part I (16) of this work. The purpose of part II presented here is to detect and quantitatively characterize time-scales of molecular motions (relaxation times) in amorphous solids at and below the glass transition temperature, to determine distributions of relaxation times associated with different modes of molecular mobility and their temperature dependence, and to determine experimentally the impact upon these parameters of combining the drug with excipients (i.e.

A mechanistic investigation of an amorphous pharmaceutical and its solid dispersions, part I: a comparative analysis by thermally stimulated depolarization current and differential scanning calorimetry.

Purpose: To explore using thermally stimulated depolarization current (TSDC), in comparison to differential scanning calorimetry (DSC), for the characterization of molecular mobility of an amorphous pharmaceutical new chemical entity (LAB687), an amorphous polymer (PVPK-30), and their combination as solid dispersions at different % drug loadings.

Methods: Amorphous drug was prepared by quenching from the melt. Solid dispersions containing 10-60% of drug in polymer were prepared by solvent evaporation method.

Solubility of E2050 at various pH: a case in which apparent solubility is affected by the amount of excess solid.

The solubility of E2050, supplied as a dihydrochloride salt, in aqueous solutions at different pHs was studied. Two pK(a)s controlling the equilibrium between the various protonated species were determined. The solubility-pH profile of E2050 is expected to be high in acidic solutions because protonated species are formed and to be low in alkaline conditions due to the formation of hydrophobic free base.