Can the results of quantum refinement be improved with a continuum-solvation model?

Quantum refinement has repeatedly been shown to be a powerful approach to interpret and improve macromolecular crystal structures, allowing for the discrimination between different interpretations of the structure, regarding the protonation states or the nature of bound ligands, for example. In this method, the empirical restraints, used to supplement the crystallographic raw data in standard crystallographic refinement, are replaced by more accurate quantum mechanical (QM) calculations for a small, but interesting, part of the structure. Previous studies have shown that the results of quantum refinement can be improved if the charge of the QM system is reduced by adding neutralizing groups. However, this significantly increases the computation time for the refinement. In this study, we show that a similar improvement can be obtained if the original highly charged QM system is instead immersed in a continuum solvent in the QM calculations. The best results are typically obtained with a high dielectric constant (ɛ). The continuum solvent improves real-space Z values, electron-density difference maps and strain energies, and it normally does not affect the discriminatory power of the calculations between different chemical interpretations of the structure. However, for structures with a low charge in the QM system or with a low crystallographic resolution (>2 Å), no improvement of the structures is seen.

La ciudad contemporánea: Identidad y patrimonio

Esta reflexión crítica de corte teórico-filosófica toma como objeto de estudio la ciudad y, más específicamente, la transformación que ha sufrido esta idea o conceptualización frente a las nuevas formas de vida, de organización y de control, potencializadas por el desarrollo de la tecnología y la colonización del pensamiento y la vida. Los habitantes de los pueblos o espacios rurales sufren transformaciones en su estilo de vida con la expansión de la ciudad o mancha urbana, generando la aparición de las formas de vida modernas y tecnológicas que se desarrollan en estas y a las cuales se adaptan. Las prácticas de agricultura poco a poco son desplazadas por las nuevas tecnologías de la urbanización; junto con ello las costumbres y tradiciones se modificarán creando una combinación entre lo urbano y lo rural, poniendo sobre la mesa la discusión en torno a la identidad de los habitantes. Un ejemplo de esto es el poblado de Ocotepec, en el estado de Morelos, cuyo proceso de urbanización resulta más que evidente. Lo interesante de Ocotepec consiste en el hecho de que en el 2014 la UNESCO le otorgó al pueblo el reconocimiento como patrimonio inmaterial cultural por sus costumbres del Día de Muertos, y además de que es considerado pueblo indígena. Esto fue posible porque frente a la expansión de la ciudad y su urbanización se contempló dentro del discurso político de la UNESCO el proteger este patrimonio. De aquí que se vuelva fundamental abordar los temas de la identidad, el patrimonio y las ciudades contemporáneas, caracterizadas como “machas urbanas”, lo que abre la reflexión en torno a las dos categorías que nos permitirán aquí analizar éstas: se trata del lugar y del no lugar, de la mano de Marc Augé. This philosophical reflection takes the city as the object of study and specifically the transformation of this idea or this concept before the new forms of life, of organization and control, increased by the technological development and the colonization of thought and life. The inhabitants of a town suffer transformations in their lifestyle with the expansion of a city or an urban spraw, generating new modern and technological ways of life. The agriculture becomes replaced by new technological urbanization and also the ways and traditions change, creating a combination between the country and the urban that questions the identity of their population. As an example of this there is a country called Ocotepec in the state of Morelos, Mexico. The most interesting part of this town is that in 2014 the UNESCO granted Ocotepec the cultural heritage recognition because of the day of the dead, and that it is considered a native country. From this point on becomes fundamental the approach to the subjects of identity, heritage and contemporary cities, also named urban spraws, that open a new reflection in two categories: one being space and the other not space, following Marc Augé proposal.

Endophytic Fungal Diversity of Aerides crispa, an Epiphytic Orchid

Aerides crispa is an epiphytic plant that belongs to Orchidaceae family. Re-quirement of special habitat makes epiphytic orchids different from other plants. Day by day favourable conditions for these plants are decreasing. Here we have isolated six endophytic fungi from a single orchid. Isolated fungal cultures were molecularly characterized using ITS sequence region comparison with known fungi from NCBI data base and submitted to Gen-Bank. Homology of the fungi were confirmed by similarity matrix generation and phylogenetic tree construction. Thus, the endophytic fungi obtained were Cladosprium cladosporioides, Nigrospora sphaerica, Colletotricum gloe-osporioides, Fusarium circinatum, F.equiseti, Cl.cladosporioides. From the research study, it is revealed that genotypic characterization is a better method for identification of fungi than traditional methods, since same fungi were identified from different parts and also different species from same part of the same plant shows the interesting part of biodiversity. Richness of fungi in A crispaspeaks a lot about the importance of conservation of or-chids, endophytes and thereby biodiversity. The study describes endophytic fungi from an epiphytic orchid Acrispa to its sequence level identification.

Impact of Visiting the Jurnal Pendidikan IPA Indonesia Website to the Author's Knowledge

The research objective is to reveal the knowledge of people who have visited the Jurnal Pendidikan IPA Indonesia (JPII) website about articles with international standards. The instruments used were questionnaires and interviews which were conducted a feasibility test before being used. The strategy employed was sequential explanatory by collecting and analyzing quantitative data followed by qualitative data. The articles of the participants were still unassigned and submitted from July to August 2020. The number of participants was 85 consisting of 78 lecturers, 4 students, and 3 teachers. The research results from questionnaire analysis were; the participants’ intention of visiting the JPII website as 53% to cite articles, the benefit that obtained was 69% getting references, the most interesting part of 62% was the results and discussion, the substance primacy of 35% was in the discussion section, and participants find it easiest to find novelties in the discussion section of 53%. The interview results with 79 participants (93%) stated that they had gained knowledge about international standard articles that had these characteristics; interesting topics, strong gap analysis, methods that are detailed and have novelty, and discussion that has a clear novelty.

Language Style of Beauty and Kencana Wungu's Position in Damarwulan Manuscript (Ethnolinguistic)

The purpose of this study was to analyze the style of language about the portrayal of female characters in Damarwulan Manuscript, namely Kencana Wungu queen. The position of women in Serat (Manuscript) Damarwulan is a very interesting part. Kencanawungu figure is a woman who is able to have power, different from the role of women found in other classical texts that only make women as Queen/king. The style of language used to describe the figure of Kencana Wungu who has the highest beauty and position is to use a panyandra (language style). Women actually have power like two blades. Women are able to destroy the world of men, but on the contrary women can also reassure the world. The study used to analyze the style of language about beauty and also the position of Kencana Wungu in Damarwulan Manuscript is an ethnolinguistic study. The method used in this study are two, namely the foundation method and ethnographic method. The foundation method is used because the object of this research is in the form of an old text, namely Damarwulan Manuscript. Ethnographic methods are used to analyze the style of language and the position of women based on Javanese cultural perspectives. This study seeks to show the style of language in expressing feelings of love and trying to describe the position of women in Damarwulan Manuscript. In addition, this research can contribute to ethnographic research, especially in the field of ancient manuscripts. Through this study, we can find out the richness of the repertoire of language styles owned by the Javanese. Javanese poets use panyandra which is related to the beauty of nature and fauna to describe the beauty of a woman. Keywords: language style, beauty, female position, Damarwulan Manuscript

Implikasi Bayang Istiwa’ Terhadap Penentuan Awal Waktu Sholat

The formulation of prayer times is based on the apparent daily circulation of the Sun by determining when the Sun occupies a certain position. One of these positions when the Sun is perpendicular to the position of the observer is called the Solar Culmination Time or called “istiwa’ ”. Time ‘istiwa defined as the starting point of the reckoning the beginning of prayer time with a time angle value equal to zero. One of the phenomena in istiwa’ is the shadow of istiwa’ which is used as a guide in making sundials. The phenomena of the ‘shadows’ has many variants depending on the latitude of the place and the declination of the Sun. The number of variants of changes in the condition of the idols ‘shadow becomes an interesting part to be studied and researched, especially the position of the idols’ time as the starpoint in the initial reckoning of prayer time. In addition, the implication of the shadow istiwa ‘phenomenon is closely related to the beginning of Zuhr and Asr, which use the sun’s shadow in their calculations. This paper will examine the implications of istiwa ‘shadows on the initial determination of prayer times which will be more focused on changes in the phenomenon of istiwa’i shadows to variations in latitude and sun declination. The research method uses qualitative methods with an astronomical approach. The data obtained were processed using geometric techniques to obtain data variants. The results of data processing were analyzed with descriptive comparisons to get a more comprehensive picture. The results of the study show that with changes in the variation in the value of the latitude and declination of the Sun, a change in the phenomenon of the length of the images’ image is obtained as follows: Without a shadow; b. The image ‘does not exceed the length of the object; c. The image ‘is equal to the object’s length; d. Istiwa length ‘is longer than the object length; e. Dark. The implication is in the formulation of Zuhr and Asr prayer times which refer to the length of the idols ‘shadows’ experiencing problems. Especially areas with latitude> 45 ° when declination is negative and latitude> -45 ° when declination is positive.

The Manufacture of Leather as an Applied Art in the Modernisme: the Factory-Workshop of Miguel Fargas y Vilaseca

This study intends to examine leather craft, an applied art that has not well studied in the context of Catalan Modernisme as well as raise awareness about its use for production and design of Modernista furniture and interior decoration. This handicraft, that had been in decline in the Catalan sphere since the 18th century, reappeared in Barcelona in the last quarter of the 19th century, due to the Modernista movement and the renaissance of medieval crafts. Thus, new workshops were created and their processes were modernized according to industrial progress. We will highlight the Miguel Fargas and Vilaseca Factory, which will manage to industrialize this handricraft, becoming one of the few internationally known manufacturers. We will try to illustrate the history of this office by analyzing this case study, since it reveals an interesting part of the panorama of decorative arts in Modernista Barcelona.

C. K. Barrett on Rudolf Bultmann as Symposiarch at the 1954 SNTS General Meeting in Marburg

This article calls attention to an unpublished account of the 1954 General Meeting of SNTS in Marburg, written by C. K. Barrett. The interesting part of Barrett's account is its picture of Rudolf Bultmann who, after the evening sessions, with a group of colleagues withdrew to a pavement café at the Marktplatz and sat there ‘at the head in undisputed preeminence’.

Paraphrases related to the language of advertising

The article deals with the language of advertising in Uzbek Language. The objective of the work is to provide the analysis of language of advertising from linguistic point of view and specify linguistic means used in advertising texts. The format of the advertising text is a certain difference compared to other functional properties of the text style. This is one of the distinguishing features mentioned are used in the title of any kind of short news reports in newspapers. The title of the advertising is important to the composition of the advertising creation relevant information. It’s the most important and interesting part of the target audience to attract attention. Text title, in general, does not explain all the details. We have the scientific language of the advertising text in a statement issued through the media; we will focus on the style characteristics of scientific and scholarly texts.