Interactions of amino acids with aluminum octacarboxyphthalocyanine hydroxide. Experimental and DFT studies

The influence of albumin and amino acids (l-serine, glycine, l-histidine, l-tryptophan, l-cysteine) on the properties of aluminum octacarboxyphthalocyanine hydroxide (Al(OH)PcOC) was investigated in a phosphate buffer (pH 8.0). Particular attention was paid to the spectroscopic properties and photostability of Al(OH)PcOC. The effect of albumin or amino acids on the photodegradation of Al(OH)PcOC was examined in water using red light: 685 nm and daylight irradiation. Analysis of kinetic curves indicated that interaction with those molecules increases the photostability of Al(OH)PcOC. The molecular structure of Al(OH)PcOC complexes (in vacuum and in water) with axially or equatorially coordinated amino acids was studied by the B3LYP/6-31G* method, and the effects on molecular structure and electronic absorption spectrum were investigated on the basis of the density functional theory. The calculation results revealed that axial coordination significantly reduces the non-planarity of the phthalocyanine ring, and, thus, alters the electronic structure. On the other hand, hydrogen bonding of phthalocyanine side COOH groups with amino acids, in equatorial complexes, does not change the structure within the center of the phthalocyanine, and causes only a slight increase in UV–vis bands intensity, which is in perfect agreement with experimental data. [Figure not available: see fulltext.

Indium(II) chloride as a precursor in the synthesis of ternary (Ag–In–S) and quaternary (Ag–In–Zn–S) nanocrystals

A new indium precursor, namely, indium(II) chloride, was tested as a precursor in the synthesis of ternary Ag−In−S and quaternary Ag−In−Zn−S nanocrystals. This new precursor, being in fact a dimer of Cl2In−InCl2 chemical structure, is significantly more reactive than InCl3, typically used in the preparation of these types of nanocrystals. This was evidenced by carrying out comparative syntheses under the same reaction conditions using these two indium precursors in combination with the same silver (AgNO3) and zinc (zinc stearate) precursors. In particular, the use of indium(II) chloride in combination with low concentrations of the zinc precursor yielded spherical-shaped (D = 3.7−6.2 nm) Ag−In−Zn−S nanocrystals, whereas for higher concentrations of this precursor, rodlike nanoparticles (L = 9−10 nm) were obtained. In all cases, the resulting nanocrystals were enriched in indium (In/Ag = 1.5−10.3). Enhanced indium precursor conversion and formation of anisotropic, longitudinal nanoparticles were closely related to the presence of thiocarboxylic acid type of ligands in the reaction mixture. These ligands were generated in situ and subsequently bound to surfacial In(III) cations in the growing nanocrystals. The use of the new precursor of enhanced reactivity facilitated precise tuning of the photoluminescence color of the resulting nanocrystals in the spectral range from ca. 730 to 530 nm with photoluminescence quantum yield (PLQY) varying from 20 to 40%. The fabricated Ag−In−S and Ag−In−Zn−S nanocrystals exhibited the longest, reported to date, photoluminescence lifetimes of ∼9.4 and ∼1.4 μs, respectively. It was also demonstrated for the first time that ternary (Ag−In− S) and quaternary (Ag−In−Zn−S) nanocrystals could be applied as efficient photocatalysts, active under visible light (green) illumination, in the reaction of aldehydes reduction to alcohols

The use of a digital twin in public facility management - a case study of a kindergarten in secemin commune

Zarządcy obiektów budowlanych nie mają dostatecznej świadomości i wiedzy, jakie korzyści mogą mieć ze stosowania BIM. Administratorzy, wykorzystując cyfrowego bliźniaka np. budynku, mogą usprawnić proces zarządzania powierzchniami, zaplanować remont czy przeprowadzić symulację ewakuacji. Przedsiębiorstwa zarządzające nieruchomościami mogą wspomagać się w ten sposób w codziennych obowiązkach, do których należy choćby bieżąca konserwacja, pilnowanie terminów przeglądów czy optymalizowanie wywozu odpadów. Celem artykułu jest pokazanie zalet i korzyści stosowania BIM z perspektywy zarządzającego obiektem użyteczności publicznej, w tym przypadku przedszkolem publicznym w gminie Secemin. W pracy opisano proces budowy cyfrowego bliźniaka w BIM, a następnie przeprowadzono szereg działań symulujących wyzwania, które stają przed zarządzającym obiektem (dyrektorem lub gminą).Facility managers are not sufficiently aware of the benefits they can have from using BIM. Administrators using a digital twin of a building, for example, can streamline the process of space management, plan renovations or simulate evacuations. Property management companies can support themselves in this way in their day-to-day duties, which include, for example, ongoing maintenance, keeping an eye on inspection dates or optimising waste disposal. The aim of this paper was to show the advantages and benefits of using BIM from the perspective of the manager of a public facility, in this case the Public Kindergarten in the municipality of Secemin. The paper describes the process of building a digital twin in BIM, followed by a series of activities simulating the challenges faced by the facility manager (director or municipality)

Publication of electronic documents patterns in the Central Repository for Electronic Documents of ePUAP platform in practice

General duty of publication of electronic documents patterns by public authorities prior to rendering available to citizens in a form of electronic services has been introduced by the legislator. Lack of precise rules and a shared vision of informatization of the public administration wreaks legal and organizational havoc, thus impeding the smooth launch of new services. From the authorities perspective this results primarily in problems with establishing responsibility and clearing rights to submit applications to the Central Document Repository and difficulties in the process of creating a correct pattern. For the citizens this results in a lack of uniform documents patterns for the whole country and a limited access to electronic path of settling official matters. Electronic Platform for e-Services of Public Administration provides tools for creating electronic patterns and sharing electronic services. The software on which the Application Construction Environment is based provides visual and fully accessible tools for preparing electronic forms. Unfortunately, the end result - accepted by the Platform as correct - does not automatically meet the requirements specified in the regulations; therefore, it needs to be adapted, which is a significant problem blocking any further steps of the process. According to the authors, changes are necessary both in terms of legislation and software. Greater emphasis should be put on cooperation between central authorities and local government units, which will result in procedures consistent at country level and effective use of resources and public funds

Interactions of amino acids with aluminum octacarboxyphthalocyanine hydroxide. Experimental and DFT studies

The influence of albumin and amino acids (l-serine, glycine, l-histidine, l-tryptophan, l-cysteine) on the properties of aluminum octacarboxyphthalocyanine hydroxide (Al(OH)PcOC) was investigated in a phosphate buffer (pH 8.0). Particular attention was paid to the spectroscopic properties and photostability of Al(OH)PcOC. The effect of albumin or amino acids on the photodegradation of Al(OH)PcOC was examined in water using red light: 685 nm and daylight irradiation. Analysis of kinetic curves indicated that interaction with those molecules increases the photostability of Al(OH)PcOC. The molecular structure of Al(OH)PcOC complexes (in vacuum and in water) with axially or equatorially coordinated amino acids was studied by the B3LYP/6-31G* method, and the effects on molecular structure and electronic absorption spectrum were investigated on the basis of the density functional theory. The calculation results revealed that axial coordination significantly reduces the non-planarity of the phthalocyanine ring, and, thus, alters the electronic structure. On the other hand, hydrogen bonding of phthalocyanine side COOH groups with amino acids, in equatorial complexes, does not change the structure within the center of the phthalocyanine, and causes only a slight increase in UV–vis bands intensity, which is in perfect agreement with experimental data. [Figure not available: see fulltext.