Continuous B- to A- Transition in Protein-DNA Binding - How Well Is It Described by Current AMBER Force Fields?

When DNA interacts with a protein, its structure often undergoes significant conformational adaptation. Perhaps the most common is the transition from canonical B-DNA towards the A-DNA form, which is not a two-state, but rather a continuous transition. The A- and B- forms differ mainly in sugar pucker P (north/south) and glycosidic torsion χ (high-anti/anti). The combination of A-like P and B-like χ (and vice versa) represents the nature of the intermediate states lying between the pure A- and B- forms. In this work, we study how the A/B equilibrium and in particular the A/B intermediate states, which are known to be over-represented at protein-DNA interfaces, are modeled by current AMBER force fields. Eight protein-DNA complexes and their naked (unbound) DNAs were simulated with OL15 and bsc1 force fields as well as an experimental combination OL15χOL3. We found that while the geometries of the A-like intermediate states in the molecular dynamics (MD) simulations agree well with the native X-ray geometries found in the protein-DNA complexes, their populations (stabilities) are significantly underestimated. Different force fields predict different propensities for A-like states growing in the order OL15 < bsc1 < OL15χOL3, but the overall populations of the A-like form are too low in all of them. Interestingly, the force fields seem to predict the correct sequence-dependent A-form propensity, as they predict larger populations of the A-like form in naked (unbound) DNA in those steps that acquire A-like conformations in protein-DNA complexes. The instability of A-like geometries in current force fields may significantly alter the geometry of the simulated protein-DNA complex, destabilize the binding motif, and reduce the binding energy, suggesting that refinement is needed to improve description of protein-DNA interactions in AMBER force fields.

Specific Tactics of Obtaining Criminalistically Significant Information at the Initial Stage of Investigating Thefts of Oil and Petroleum Products During Their Storage and Transportation

Under the current legislation, the investigator is responsible for investigating and solving all cases in progress. A high-quality comprehensive investigation of criminal cases connected with theft of oil and petroleum products makes it possible to fulfil these duties successfully. The establishment of the guilt of a person in the process of proving during the investigation of theft of oil and petroleum products, which belong to the category of grave crimes, presents certain difficulties connected with the specific features of such crimes. If a tactically correct sequence of investigative actions is chosen at the initial stage of investigation, the investigator may get a considerable amount of relevant criminalistic information, that will further make it possible to achieve the goal of the investigation in the form of criminal prosecution against the guilty person. The author examines some specific features of the tactics of investigative actions at the initial stage of investigating thefts of oil and petroleum products during their storage and transportation at the fuel and energy enterprises. The author also presents recommendations on improving the tactics of investigative actions in the investigation of thefts of oil and petroleum products.

Political inequality, political participation, and support for populist parties

We theoretically investigate how political abstention among certain social groups encourages populist parties to enter the political stage, trying to absorb inactive voters. We design a two-stage game with two established parties and n voters who jointly determine a taxation policy. The electorate is divided into two groups, the advantaged and the disadvantaged. Voters’ decisions on whether to participate depend on a party’s tax rate proposal and on general party ideology. Effective political participation requires a certain amount of financial, social and intellectual resources to, for example, evaluate party programs or to engage in political discussion. As the disadvantaged are endowed with fewer resources, they lack political efficacy, resulting in less political participation. Consequently, the established parties propose a tax rate which is biased towards the preferences of the advantaged. The unused voter potential among the disadvantaged draws the interest of a populist challenger. To win support from the disadvantaged, the challenger party optimally proposes a respectively biased tax rate, which then works to polarize the political spectrum.Please confirm if the author names are presented accurately and in the correct sequence (given name, middle name/initial, family name). Author 1 Given name: [Kim Leonie] Last name [ Kellermann]. Also, kindly confirm the details in the metadata are correct.All correct.

احادیث سحر کا مسئلہ عصمت انبیاءکے تناظر میں تحقیقی جائزہ

The existence of the effects of magic is proved by the Holy Qur'an, it can not be denied, but the question arises whether the effects of magic also affect the Prophets? It is narrated in many Ahadith the Holy Prophet Muhammad (PBUH) was effected by evil magic while magic was done. Now the basic question is that how did the magic happen and the existence of magic is against the glory of the Prophet, isn't it? There is a difference of opinion among the Islamic Scholars on the subject. In the lying article,after researching the correct sequence of sorcery in the context of ahadiths, it has been clarified that the effect of sorcery on the Prophets is a human requirement because sorcery is a disease like other diseases and it is not against the infallibility of the Prophets (Asmat-e-Anbya).

Artificial Intelegence PENERAPAN KASUS ALGORITMA ASCENT HILL CLIMBING DALAM PERMAINAN PUZZLE 8

Puzzle game is a game that shifts numbers from a box consisting of nine boxes. Eight boxes must have values arranged in numerical order starting from numbers 1 to 8. Puzzle games can produce the correct sequence according to the initial state provided that they follow the rules established rules. Completion of this game using a heuristic method, using the Ascent hill Climbing algorithm. The working process of the Ascent hill Climbing method is a process of looking for several possible solutions in order to get the optimal value for solving the problem by arranging the values from the position of the smallest value to the position of the largest value. The problem that is often experienced in this case is a lack of user knowledge in the concept of puzzle game rules so that search results are difficult to find,with this method it can make it easier to solve puzzle game cases by following the game rules and done systematically so that Goals are quickly found. The Goal results obtained are in the form of steps in the process of finding a solution and calculating the time required in the search to find a solution.

A procedure to detect 6 basic STSs and 11 extended STSs in the AZF region using multiplex PCR

Microdeletions of Y chromosomes frequently occur in 3 subregions of the AZF, namely, AZFa, AZFb, and AZFc, with 6 basic STS marker sequences, which are sY84, sY86 (AZFa), sY127, sY134 (AZFb), and sY254, sY255 (AZFc). According to EAA/EMNQ guidelines, 11 additional AZFabc marker sequences should be used to determine the extent of the microdeletion in the AZF region of infertile men, which is known as 11 extended STSs. By applying mPCR, the authors develop an optimal detection procedure for the 6 basic STS and 11 extended STS using 3 multiplex PCR reactions. The first multiplex PCR reaction includes 6 basic STS plus the 2 control sequences sex-determining region Y (SRY) and zinc finger protein X/Y-linked (ZFX/Y). The second multiplex PCR reaction includes the 6 extended STS sY88, sY1182, sY105, sY121, sY1191, and sY1291 and the 2 control sequences SRY and ZFX/Y. The third multiplex PCR reaction includes the 5 extended STS sY153, sY160, sY82, sY143, and sY83 and the 2 control sequences SRY and ZFX/Y. Six basic primer sequences and eleven extended primer sequences are redesigned to simultaneously pair and amplify STS in the same multiplex reaction: set of 8 primers for 6 basic STS: 6 basic STS + 2 (SRY, ZFX/Y), 8 extension primers set E1: 6 extended STS + 2 (SRY, ZFX/Y), and 7 extension primers set E2: 5 extended STS + 2 (SRY, ZFX/Y). We successfully designed primer pairs with high specificity and stability and successfully amplified 6 basic STS and 11 extended STS, which ensures that the STSs have the correct sequence as recommended by EAA/EMQN and are consistent with the NCBI gene bank. This study has successfully developed a procedure to simultaneously detect 17 STSs, including 6 basic STSs and 11 extended STSs in the AZF region using 3 multiplex PCR reactions.

Flight safety level improvement methodology based on the pilot model

Despite the regular efforts on the part of national regulators, the International Civil Aviation Organization and the International Air Transport Association (ICAO and IATA), as well as on the developers of aeronautical equipment, the vast majority of accidents and incidents continue to occur due to the human factor. With the course of time, aircraft design and reliability are steadily and significantly improving, nevertheless, the number of aviation accidents is happening more and more frequently, including accidents with serviceable aircraft. Considerable evidence is the fact that a Controlled Flight into Terrain (CFIT) remains one of the most common causes of aviation accidents. This is specified by a wide variety of problems that require the search for complex, interconnected solutions. Among these issues it is necessary to highlight the increasing sophistication of the aircraft as a technical system, as well as practically unchanged for more than half a century approaches to pilots training for the type and maintaining their qualifications based on pre-defined scenarios taking into consideration the previous experience of aircraft operation. One of the possible ways out of the situation may be the introduction of so-called concept of personnel training relying on the evidence-based training analysis (EBT) based not on the pursue to memorize a certain list of exercises but to develop each particular pilot’s skills and competences that could help him cope with any unpredictable situation. The key feature of EBT lies in refocusing on the analysis of original causes of unsuccessful maneuvers (actions of the pilot) primarily in order to correct the wrong actions instead of repeatedly complying with the "correct sequence of actions". In this regard, the tools providing a continuous analysis of the pilot's actions to identify errors for the purpose of realigning (forming) the pilot's professional competencies in due time, are of paramount importance. The article describes the content of the methodology representing an ultimate goal to develop recommendations aimed at improving pilot’s expertise based on generalized and personalized models of the pilot, as well as solving the inverse problem of flight dynamics using a comparative assessment of a particular pilot piloting quality.

From satisfaction to loyalty: the role of emotional structures in the process of transition from satisfaction to loyalty

PurposeSatisfaction and loyalty as vital and strategic concepts in marketing literature are highly important to companies and marketers. The review of the existing literature reveals a gap of the role of emotional constructs that can begin in a regular and rational sequence of satisfaction and ultimately lead to the formation of consumer loyalty. Hence, in the current study, we seek to answer the question of whether emotional constructs such as emotional attachment and love play a mediating role in the process of transitioning from satisfaction to loyalty in the correct sequence.Design/methodology/approachA total of 300 valid questionnaires on Smartphone and apparel brands were collected from respondents and analyzed using the partial least squares method.FindingsThe results showed that brand love is the strongest antecedent of brand loyalty and is the only variable that directly influences brand loyalty in comparison to satisfaction and emotional brand attachment. Moreover, the examination of indirect effects revealed that our assumption based on that the emotional structures such as emotional attachment and brand love play a mediating role in the process of transitioning from satisfaction to loyalty in a correct sequence is supported.Research limitations/implicationsGeneralizability needs to be established with a wider range of consumer groups. The survey was conducted in Iran and future research should assess the same product categories in other cultural settings as well as consider other product categories to assess the external validity of these results. The insights on consumers' brand relationships help brand managers devise effective brand management strategies.Practical implicationsThe managerial implications can guide managers toward enhancing the consumers' loyalty to the brand through a better understanding of the consumer loyalty process to a brand as well as better relational marketing practices.Originality/valueThe study validates the mediating role of emotional brand attachment and brand love in the relationship between brand satisfaction and brand loyalty; is one of the first to develop a conceptual model that examines the role of emotional structures in the process of transition from satisfaction to loyalty.; is one of few studies to develop the role of emotional structures in the form of a relational chain of brands in the process of transition from satisfaction to loyalty.

Erratum for Manuscript “Study On Neutrophil Lymphocyte Ratio And Platelet Lymphocyte Ratio In COVID-19 From Our Prospective. A Cross Sectional Study

n the article entitled “Study on Neutrophil Lymphocyte ratio and Platelet lymphocyte ratio in COVID-19 from our prospective -A cross sectional study” published in the Volume 8, Issue 3, September- December 2020 issue of the Perspectives In Medical Research ,[1] the author’s sequence and affiliation is incorrectly written. The correct sequence is as under. 1. Syed Imran Ali, Assistant Professor, Department of Physiology, Mamata Academy of Medical Sciences 2. Farha Tarannum, Assistant Professor, Department of Community medicine, Mamata Academy of Medical Sciences 3. Rubiya Khan, Assistant Professor, Department of Pathology, Mamata Academy of Medical Sciences 4. M Kanya Kumari, Professor, Department of Pathology, Mamata Academy of Medical Sciences 5. Mujahid Mohammed, Associate Professor, Department of Physiology, Mamata Academy of Medical Sciences 6. Mohammed Asghar Ali, Professor, Department of Physiology, Mamata Academy of Medical Sciences Corresponding author: Syed Imran Ali, Assistant Professor, Department of Physiology, Mamata Academy of Medical Sciences

On formal ethics versus inclusive moral deliberation

In this article, I will advocate caution against a formalization of ethics by showing that it may produce and perpetuate unjustified power imbalances, disadvantaging those without a proper command of the formalisms, and those not in a position to decide on the formalisms’ use. My focus rests mostly on ethics formalized for the purpose of implementing ethical evaluations in computer science–artificial intelligence, in particular—but partly also extends to the project of applying mathematical rigor to moral argumentation with no direct intention to automate moral deliberation. Formal ethics of the latter kind can, however, also be seen as a facilitator of automated ethical evaluation. I will argue that either form of formal ethics presents an obstacle to inclusive and fair processes for arriving at a society-wide moral consensus. This impediment to inclusive moral deliberation may prevent a significant portion of society from acquiring a deeper understanding of moral issues. However, I will defend the view that such understanding supports genuine and sustained moral progress. From this, it follows that formal ethics is not per se supportive of moral progress. I will illustrate these arguments by practical examples of manifest asymmetric relationships of power primarily from the domain of autonomous vehicles as well as on more visionary concepts, such as artificial moral advisors. As a result, I will show that in these particular proposed use-cases of formal ethics, machine ethics risks to run contrary to their proponents’ proclaimed promises of increasing the rigor of moral deliberation and even improving human morality on the whole. Instead, I will propose that inclusive discourse about automating ethical evaluations, e.g., in autonomous vehicles, should be conducted with unrelenting transparency about the limitations of implementations of ethics. As an outlook, I will briefly discuss uses formal ethics that are more likely to avoid discrepancies between the ideal of inclusion and the challenge from power asymmetries.Please check and confirm that the authors and their respective affiliations have been correctly identified and amend if necessary.I confirm.Author names: Please confirm if the author names are presented accurately and in the correct sequence (given name, middle name/initial, family name). I confirm. Kindly check and confirm the country name for the affiliation [1] is correct.I confirm.