Complete Assignment Research Articles

Insight into glucocorticoids glucosylation by glucosyltransferase: A combined experimental and in-silico approach

Glucosyltransferases catalyze the glucosidic bond formation by transferring a glucose molecule from an activated sugar donor to an acceptor substrate. Glucocorticoids (GCs) are adrenal-derived steroid hormones most widely used for anti-inflammatory treatments. In this study, we biotransformed two selected GCs, cortisone and prednisone, into their O-glucoside derivatives using a versatile UDP-glycosyltransferase UGT-1. Complete structural assignment of glucosylated products revealed that the bioconversion by regio-selective glucosylation of cortisone and prednisone produced cortisone 21-glucoside and prednisone 21-glucoside, respectively. We also combined molecular dynamics (MD) simulation to study the binding feature and mechanism of glucosylation. MD simulation studies showed the formation of a stable complex between protein, glucose donor, and substrate, stabilized by hydrogen bonds. Overall, we were able to provide explanations for the experimentally observed selectivity for glucosylation by integrating experimental and computational techniques.

Faculty Perceptions of Persons with Disabilities and Students with Special Needs in the New Normal: Basis for Drafting Advocacy Program in Philippine State Universities and Colleges

As the world’s largest minority, people with disabilities (PWD) students and students with special needs face additional challenges to become successful in higher education during the COVID-19 pandemic. This study investigated faculty attitudes toward these students in the new normal. Specifically, the study looked at how faculty perceived PWDs and their knowledge, experiences, and opinions about them, as well as their willingness to make significant accommodations. Ninety faculty members from a state university were surveyed and the results revealed that faculty members generally perceive that they are considerate of the requests of students who have disabilities and special needs. Likewise, findings showed that faculty members are willing to: (1) set up extended time exams; (2) give these students extra time to complete assignments; (3) alter the way exams are answered; (4) permit these students to tape record lectures; and (5) spend additional time with these students to clarify course-related material.

Fully Automated Unconstrained Analysis of High-Resolution Mass Spectrometry Data with Machine Learning.

Mass spectrometry (MS) is a convenient, highly sensitive, and reliable method for the analysis of complex mixtures, which is vital for materials science, life sciences fields such as metabolomics and proteomics, and mechanistic research in chemistry. Although it is one of the most powerful methods for individual compound detection, complete signal assignment in complex mixtures is still a great challenge. The unconstrained formula-generating algorithm, covering the entire spectra and revealing components, is a "dream tool" for researchers. We present the framework for efficient MS data interpretation, describing a novel approach for detailed analysis based on deisotoping performed by gradient-boosted decision trees and a neural network that generates molecular formulas from the fine isotopic structure, approaching the long-standing inverse spectral problem. The methods were successfully tested on three examples: fragment ion analysis in protein sequencing for proteomics, analysis of the natural samples for life sciences, and study of the cross-coupling catalytic system for chemistry.

Better Decision Heuristics in CDCL through Local Search and Target Phases

On practical applications, state-of-the-art SAT solvers dominantly use the conflict-driven clause learning (CDCL) paradigm. An alternative for satisfiable instances is local search solvers, which is more successful on random and hard combinatorial instances. Although there have been attempts to combine these methods in one framework, a tight integration which improves the state of the art on a broad set of application instances has been missing. We present a combination of techniques that achieves such an improvement. Our first contribution is to maximize in a local search fashion the assignment trail in CDCL, by sticking to and extending promising assignments via a technique called target phases. Second, we relax the CDCL framework by again extending promising branches to complete assignments while ignoring conflicts. These assignments are then used as starting point of local search which tries to find improved assignments with fewer unsatisfied clauses. Third, these improved assignments are imported back to the CDCL loop where they are used to determine the value assigned to decision variables. Finally, the conflict frequency of variables in local search can be exploited during variable selection in branching heuristics of CDCL. We implemented these techniques to improve three representative CDCL solvers (Glucose, MapleLcm DistChronoBT, and Kissat). Experiments on benchmarks from the main tracks of the last three SAT Competitions from 2019 to 2021 and an additional benchmark set from spectrum allocation show that the techniques bring significant improvements, particularly and not surprisingly, on satisfiable real-world application instances. We claim that these techniques were essential to the large increase in performance witnessed in the SAT Competition 2020 where Kissat and Relaxed LcmdCbDl NewTech were leading the field followed by CryptoMiniSAT-Ccnr, which also incorporated similar ideas.

Teacher strategies to use virtual learning environments to facilitate algebra learning during school closures

After nationwide school closures due to COVID-19, virtual learning environments (VLE) have seen tremendous increase in usage. The current study identified teacher activities for orchestration using an Algebra VLE during school closures, and whether these activities were related to student achievement. In May 2020, we collected survey data on how 213 teachers were using a VLE for Algebra with 10,590 students, along with system logs and student achievement data. Results indicated that teachers made several changes to teacher strategies due to school closures, including allowing students more time to complete assignments. Multilevel modeling showed that teacher orchestration activities, particularly those related to regulation/management and awareness/assessment, were positively related to student achievement. We discussed the results and provided implications for practice (Q&A setting, assignment flexibility).

Spectroscopic characterization, molecular structure, NBO analysis, dielectric studies and biological activities of 4-(3-aminophenyl) benzonitrile

The molecular structure of 4-(3-aminophenyl)benzonitrile (AP-PhCN) were studied with Density Functional Theory. The calculated wavenumbers can be well supported by the experimental analysis of the vibrational modes of 4-(3-aminophenyl)benzonitrile. The complete assignments of AP-PhCN have been performed on the basis of experimental data and potential energy distribution (PED) of the vibrational modes. Through natural bond orbital (NBO) analysis, the charge delocalization within the molecule has been studied.The molecular electrostatic potential (MEP) map shows various active regions of the charge distribution on the chemical structure. In addition, dielectric quantities like dielectric constant at microwave frequency, optical frequency, relaxation time and static dielectric constant have also been determined. The results indicate the heterointeraction arises owing to the hydrogen bonding made between the C≡N of AP-PhCN and –OH group. Further, thermodynamic properties such as enthalphy and entropy have also been investigated. The molecular docking studies are also performed to explore the interaction between the AP-PhCN and Influenza endonuclease inhibitor.

Spectroscopic investigation and density functional theory prediction of first and second order hyperpolarizabilities of 1-(4-bromophenyl)-3-(2,4-dichlorophenyl)‑prop-2-en-1-one

This work presents the spectroscopic analysis and nonlinear optical (NLO) behaviour of 1-(4-Bromophenyl)-3-(2,4-dichlorophenyl)‑prop-2-en-1-one (DCBC). The motivation behind choosing chalcone derivative DCBC for NLO studies is its crystallization in non-centrosymmetric structure, excellent second harmonic generation efficiency (SHG) and flexibility in structure of chalcones due to donor-acceptor groups. The compound was characterized by FT-IR, FT-Raman, UV–vis and NMR techniques. The structural and spectroscopic features of the molecule were calculated using density functional theory (DFT) employing B3LYP/6–311++G(d,p) basis set and compared with the experimental values. The complete vibrational assignments were made on the basis of potential energy distribution (PED). The Natural Bond Orbital (NBO) analysis of DCBC has been done in order to provide the detailed insight into the nature of electronic conjugation between the bonds in this molecule. The second-order perturbation theory analysis of Fock matrix in the NBO basis of the molecule shows the strong intramolecular hyperconjugative interactions between σ (Cl3-C28) to σ*(C26-C28), n(1)(Cl3) to σ*(C26-C28) and π(C6-C8) to π*(C5-C13) resulting in large stabilization energies leading to large delocalization. A time-dependant variant of DFT (TD-DFT) is applied to calculate the electronic properties such as oscillator strengths, absorption maxima and HOMO and LUMO energies. The HOMO-LUMO energy gap is found to be 3.882 eV and is used to calculate global reactivity parameters. Isotropic chemical shifts were calculated using gauge invariant atomic orbital (GIAO) method and these matched well with the experimental results, indicating the accuracy of calculation method. Molecular Electrostatic Potential (MEP) surface has been depicted to know the chemically active regions of the molecule. The nonlinear optical properties of title molecule were addressed theoretically by the determination of two contributions, vibrational and electronic, to polarizability (α) and the first and the second order hyperpolarizabilities (β and γ). The electronic first and second order hyperpolarizabilities of DCBC determined by Finite Field approach method are found to be 17.805 × 10−30 and 6.0 × 10−41 e.s.u. respectively. These values are comparable to other chalcones and organic NLO materials which indicate that the studied molecule is responsive to nonlinear optical (NLO) effect and has enhanced applicability in the development of nonlinear optical devices.

Investigation of quinoline derivatives by photoemission spectroscopy and theoretical calculations

The electronic structure of gaseous quinoline and three substituted quinolines, 4-chloroquinoline, 4-aminoquinoline and 4-amino-7-chloroquinoline, have been investigated by valence and core level photoemission spectroscopy. The complete assignment of the spectral features in the valence region has been performed with the aid of the outer valence Green’s function (OVGF) method, providing an acceptable description of the measured spectra. The C 1s, N 1s, and Cl 2p core level spectra of quinoline and its derivatives were also measured and compared with theoretical calculations based on density functional theory, which predicted ionization potentials in good agreement with the experimental data. For the case of the Cl 2p ionization the spin-orbit coupling was also included in the calculation. This work provides a full assignment of the relative binding energies of the core level features, and an analysis of the electronic structure of substituted quinolines in comparison with the parent molecule.

Pengaruh Self-Regulated Learning dan Motivasi Berprestasi Terhadap Perilaku Prokrastinasi Akademik Siswa

Academic procrastination is a behavior carried out by students in the form of delaying work both to start and complete assignments for rational reasons, this can have a negative impact on achievement and also students' mental health. Academic procrastination is caused by several factors such as low self-regulated learning and achievement motivation and is moderated by social media addiction. This study aims to determine the effect of self-regulated learning and achievement motivation on academic procrastination, as well as the moderating effect of social media addiction. Participants in this study amounted to 134 students of SMPN class VIII, consisting of 54 boys and 80 girls with an age range of about 13 to 15 years. Data collection in this study used four scales, namely the academic procrastination scale, achievement motivation scale, academic self-regulated learning scale, and social media addiction scale. The academic procrastination scale has 17 items with a different power of 0.331-0.763 and a reliability of 0.907. The achievement motivation scale has 22 items with a different power of 0.337-0.740 and a reliability of 0.895. The academic self-regulated learning scale has 22 items with a power difference of 0.309-0.836 and a reliability of 0.928. The social media addiction scale has 5 items with a discrepancy of 0.371-0.556 and a reliability of 0.792. The data in this study were analyzed using the structural equation model technique. The results showed that 1) there was an effect of self-regulated learning on academic procrastination (p values ​​0.00<0.05); 2) there is no effect of achievement motivation on academic procrastination (p values ​​0.243 <0.05); 3) social media addiction did not affect the relationship between self-regulated learning and academic procrastination (p values ​​0.90<0.05); 4) social media addiction affects the relationship between achievement motivation and academic procrastination (p values ​​0.015<0.05).

Pengaruh Self-Regulated Learning dan Motivasi Berprestasi Terhadap Perilaku Prokrastinasi Akademik Siswa

Academic procrastination is a behavior carried out by students in the form of delaying work both to start and complete assignments for rational reasons, this can have a negative impact on achievement and also students' mental health. Academic procrastination is caused by several factors such as low self-regulated learning and achievement motivation and is moderated by social media addiction. This study aims to determine the effect of self-regulated learning and achievement motivation on academic procrastination, as well as the moderating effect of social media addiction. Participants in this study amounted to 134 students of SMPN class VIII, consisting of 54 boys and 80 girls with an age range of about 13 to 15 years. Data collection in this study used four scales, namely the academic procrastination scale, achievement motivation scale, academic self-regulated learning scale, and social media addiction scale. The academic procrastination scale has 17 items with a different power of 0.331-0.763 and a reliability of 0.907. The achievement motivation scale has 22 items with a different power of 0.337-0.740 and a reliability of 0.895. The academic self-regulated learning scale has 22 items with a power difference of 0.309-0.836 and a reliability of 0.928. The social media addiction scale has 5 items with a discrepancy of 0.371-0.556 and a reliability of 0.792. The data in this study were analyzed using the structural equation model technique. The results showed that 1) there was an effect of self-regulated learning on academic procrastination (p values ​​0.00<0.05); 2) there is no effect of achievement motivation on academic procrastination (p values ​​0.243 <0.05); 3) social media addiction did not affect the relationship between self-regulated learning and academic procrastination (p values ​​0.90<0.05); 4) social media addiction affects the relationship between achievement motivation and academic procrastination (p values ​​0.015<0.05).

Reducing stress and anxiety in patients with myocardial infarction with non-obstructive coronary arteries or Takotsubo syndrome: A non-randomized feasibility study

Background and aimIn the aftermath of a myocardial infarction with non-obstructive coronary arteries (MINOCA) or Takotsubo syndrome (TS), patients commonly express high levels of stress and anxiety. Current treatment alternatives rarely address these issues. The planned E-health Treatment of Stress and Anxiety in Stockholm Myocardial Infarction With Non-obstructive Coronaries Study (e-SMINC) aims to evaluate the effects of an internet-based intervention, building on cognitive behavioral therapy (CBT) by comparison with treatment as usual using an RCT approach. This was a small-scale single arm study designed to test the feasibility of the RCT, addressing uncertainties regarding recruitment, data collection, and intervention delivery. MethodsParticipant recruitment and screening took place before discharge from the coronary care unit at a large Swedish hospital. Eligible patients were invited to a nine-step psychologist guided, internet-based CBT intervention. The sample size was set in advance to 10 participants completing the intervention. The recruitment and flow of participants were documented and evaluated in relation to seven pre-defined progression criteria. Self-reports of anxiety (HADS-A), stress (PSS-14), cardiac anxiety (CAQ), posttraumatic stress (IES-6) and quality of life (Rand-36), collected at screening, pre-intervention and post-intervention, were analysed descriptively and by effect sizes (Cohen's d). Individual interviews targeting participant experiences were conducted. ResultsSix out of seven progression criteria yielded no concerns. Out of 49 patients with a working diagnosis of MINOCA or TS, 31 were eligible for screening, 26 consented to participate, and 14 were eligible with regard to symptoms of stress and/or anxiety. Eleven completed the pre-assessment and were given access the intervention, and 9 completed the intervention. Only the number of patients screened prior to eligibility assessment was slightly lower than expected, indicating possible concerns. Self-reports of anxiety, stress, cardiac anxiety, posttraumatic stress, and quality of life all indicated symptom reduction from pre- to post-intervention, generally showing large effect sizes (d = 0.6–2.6). The general consensus among participants was that the programme was helpful and relevant, and that the personal contact with the psychologist was highly valued. Setting aside time to complete assignments was found critical. ConclusionConducting a full scale RCT was found feasible. Inclusion of more study sites and minor amendments to the protocol and intervention were decided to improve feasibility further. Trial registrationClinicaltrials.govNCT04178434

Analisis Penerimaan Pengguna Platform Pembelajaran Virtual Learning Unesa (Vinesa) Menggunakan Task Technology Fit (TTF) Dan Technology Acceptance Model (TAM) Di Masa Pandemi COVID-19

This study aims to examine the effect of Task Technology Fit (TTF) and Technology Acceptance Model (TAM) on student attitudes in learning supported by Vinesa during the COVID-19 pandemic. The COVID-19 pandemic demands various changes and innovations in the field of education and the implementation of the adaptive learning process continues to run well. The COVID-19 pandemic has pushed the world of education, especially universities, to change the learning process model from face-to-face learning in the classroom to online learning or distance learning. Vinesa is one of the applications used by the State University of Surabaya to support and manage online learning so that the teaching and learning process can still function properly during the COVID-19 pandemic. The data analysis method used is Structural Equation Modeling-Partial Least Squares (SEM-PLS). The sample size is 281 respondents from the Office Administration Education Study Program consisting of students in 2018, 2019, 2020, and 2021 at the State University of Surabaya. The results of this study indicate that task-technology fit (TTF) is an important role that influences students' attitudes towards online learning during the COVID-19 pandemic. Assignment technology suitability is considered when students try to use Vinesa to complete assignments. This study also proved that students responded with positive perceptions about task-technology suitability and had positive perceptions about ease of use (PEOU), perceived usefulness (PU), and behavioral intentions (BI) towards the use of Vinesa.

A newly synthesized 17-epi-NeuroProtectin D1/17-epi-Protectin D1: Authentication and functional regulation of Inflammation-Resolution

The production of specialized pro-resolving mediators (SPMs) during the resolution phase in the inflammatory milieu is key to orchestrating the resolution of the acute inflammatory response. 17-epi-neuroprotectin D1/17-epi-protectin D1 (17-epi-NPD1/17-epi-PD1: 10R,17R-dihydroxy-4Z,7Z,11E,13E,15Z,19Z-docosahexaenoic acid) is an SPM of the protectin family, biosynthesized from docosahexaenoic acid (DHA), that exhibits both potent anti-inflammatory and neuroprotective functions. Here, we carried out a new commercial-scale synthesis of 17-epi-NPD1/17-epi-PD1 that enabled the authentication and confirmation of its potent bioactions in vivo and determination of its ability to activate human leukocyte phagocytosis. We provide evidence that this new synthetic 17-epi-NPD1/17-epi-PD1 statistically significantly increases human macrophage uptake of E. coli in vitro and confirm that it limits neutrophilic infiltration in vivo in a murine model of peritonitis. The physical properties of the new synthetic 17-epi-NPD1/17-epi-PD1, namely its ultra-violet absorbance, chromatography, and tandem mass spectrometry fragmentation pattern, matched those of the originally synthesized 17-epi-NPD1/17-epi-PD1. In addition, we verified the structure and complete stereochemical assignment of this new synthetic 17-epi-NPD1/17-epi-PD1 using nuclear magnetic resonance (NMR) spectroscopy. Together, these results authenticate this 17-epi-NPD1/17-epi-PD1 for its structure and potent pro-resolving functions.

Structural Insights into the Interaction between Bacillus subtilis SepF Assembly and FtsZ by Solid-State NMR Spectroscopy.

In many species of Gram-positive bacteria, SepF participated in the membrane tethering of FtsZ Z-ring during bacteria division. However, atomic-level details of interaction between SepF and FtsZ in an assembled state are lacking. Here, by combining solid-state NMR (SSNMR) with biochemical analyses, the interaction of Bacillus subtilis SepF and the C-terminal domain (CTD) of FtsZ was investigated. We obtained near complete chemical shift assignments of SepF and determined the structural model of the SepF monomer. Interaction with FtsZ-CTD caused further packing of SepF rings, and SSNMR experiments revealed the affected residues locating at α1, α2, β3, and β4 of SepF. Solution NMR experiments of dimeric SepF constructed by point mutation strategy proved a prerequisite role of α-α interface formation in SepF for FtsZ binding. Overall, our results provide structural insights into the mechanisms of SepF-FtsZ interaction for better understanding the function of SepF in bacteria.

Meningkatkan Mutu Pendidikan Melalui Kegiatan Bimbingan Belajar Gratis di Desa Banua Huta Kecamatan Sigumpar Kabupaten Toba, Sumatra Utara

This community service activity (PkM) aims to improve the quality of people's education through free tutoring after school at SDN177674 Banua Futa, Shigunpa District, Toba Regency. Tutoring activities were carried out at SDN177674 Banua Futa, Shigunpa District, Toba Regency. This activity will last for a month from February 2, 2022 to February 28, 2022. Teaching hours are from 15.00 WIB to 17.00 WIB from Monday to Thursday. The teacher instructs students to complete school assignments (PR) and teaches students about material that has not been understood while studying at school. The material provided covers all subjects and all grade levels. This guidance stage includes preparation, implementation, assessment, and reporting of activities. The result of this tutoring activity is the satisfaction of parents/guardians towards improving children's academic achievement after participating in this tutoring activity. This is because after joining a tutor, students are enthusiastic about doing their homework (PR) well and don't give up doing homework because of the teacher. You can also review the material provided by the tutor in the afternoon after school to further improve your students' understanding of the material at school

Synthesis, spectroscopic and DFT studies of 5-methyl-1H-pyrazole-3-carbohydrazide N-glycoside as potential anti-diabetic and antioxidant agent

A novel pyrazole-carbohydrazide N-glycoside derivative (SM1) was prepared by condensation of D-glucose with 1H-pyrazole-3-carbohydrazide. The structure of SM1 was identified by FT-IR, 1H-NMR, 13C-NMR, UV–Vis and mass spectrometry. Structures and properties of SM1 in gas phase, methanol and aqueous solution were predicted by using hybrid B3LYP method with the 6–31G* and 6–311++G** basis sets. Considerable correlations were observed among the experimental spectra and the corresponding theoretical ones. Both levels of calculations evidence that the glucose moiety modify the dihedral angles and that the C=O and the N-NH group of pyrazole ring are in a cis position. A high negative solvation energy of SM1 in water is observed (-196.36 kJ/mol). Both methods show changes in volumes with the size of basis sets and with the permittivity of solvent while the dipole moments follow approximately a same tendency. NBO and AIM studies predict high stabilities of SM1 with both methods supported probably by low separations MK charges on N7 and O13 atoms while the low reactivity of SM1 could be explained by the low electrophilicity index ω. Complete vibrational assignments of all vibration modes of SM1 are reported together with the scaled harmonic force constants. Compound SM1 was tested in vitro for their α-glucosidase and α-amylase inhibitory activity and the postprandial glucose level after administration of this compound was measured by using oral starch tolerance test (OSTT). The in vitro antioxidant activities of SM1 were determined by DPPH, ABTS, and H2O2 radical scavenging methods and the total reducing power Fe3+-Fe2+ transformation (FRAP). The results shown that SM1 exhibited a potent α-glucosidase inhibition with IC50 value of 59.75 ± 0.80 µM, compared to acarbose (IC50 = 72.58 ± 0.68 µM). The result of OSTT showed that SM1 caused the reduction of blood glucose by 42% at 60 min in diabetic mice, which also showed its significant hypoglycemic effect. Moreover, the results of antioxidant activities showed that the title compound has potent antioxidant and radical scavenger.

An exploration of students’ engagement in EFL classrooms

The purpose of this research was to explore students' behavioral engagement in the classroom and the factors that affect it. This research was approached using an explorative descriptive qualitative study., involving teachers and students in two classes at the first grade of a senior high school in Langsa, Indonesia. The classes were taught by two English teachers, and 57 students were involved. The instruments used in this research were observations, questionnaires and focus group discussions with teachers and students. The results of this study indicate that most students paid serious attention to the lesson, put their best effort to focus on the teaching and learning process, and complete assignments. In addition, the students were active in asking questions, giving opinions, and participating in group discussion. The results of this study also show that the most dominant factor in influencing students 'engagement was the teachers' support factor, followed by class structure and school level factors. Therefore, it is suggested that English teachers and school provide best support to students, and they establish good class structure in terms of class size and situation to improve students’ engagement.

Effect of Charge Transfer and Non-Covalent Interactions of the Synthesized NLO Compound p-Nitrophenol Sodium-Bisulfate Using DFT Method

In the present work a new semiorganic single crystal p-nitrophenol sodium-bisulfate (PNSB) was synthesized and fully characterized by means of single crystal XRD, powder XRD, FT-IR, FT-Raman and UV-visible spectroscopic techniques. The optimized geometrical parameters were obtained at the DFT/B3LYP level of theory and correlate them with similar structures. Normal coordinate analysis, force constants, and potential energy distributions have been used to support the complete vibrational assignments for all vibrational modes. The computed IR and Raman frequencies correlate well with the experiments, as indicated by the correlation factor. The optimized molecular structure reveals the presence of C-H…O hydrogen bonding interaction. The stability of the molecule arising from hyper conjugative interaction and charge delocalization has been analyzed using natural bonding orbital analysis. NBO analysis proved the presence of intermolecular O-H…Na22 hydrogen bonds caused by the interaction of the lone pair of oxygen with the anti-bonding orbital. HOMO, LUMO and ESP analyses were done using DFT, whereas, the absorption band in the UV–vis spectrum was predicted and compared with the experimental data. ESP is used to identify the nucleophilic region, which is located around the sodium atom, and the electrophilic region, which is primarily located at the oxygen atoms of the PNSB molecule. The frontier orbital gap denotes the charge transfer interaction within the compound required for optical activity. Electron Localization Function, Localized Orbital Locator and Reduced Density Gradient analysis were discussed. In order to study the nonlinear optical activity of PNSB, the dipole moment, polarizability and fihyperpolarizabilities were computed. It is found that the calculated first order hyperpolarizability of PNSB is 51.75 times greater than that of urea.

1H, 13C, and 15N resonance assignments of a conserved putative cell wall binding domain from Enterococcus faecalis

Enterococcus faecalis is a major causative agent of hospital acquired infections. The ability of E. faecalis to evade the host immune system is essential during pathogenesis, which has been shown to be dependent on the complete separation of daughter cells by peptidoglycan hydrolases. AtlE is a peptidoglycan hydrolase which is predicted to bind to the cell wall of E. faecalis, via six C-terminal repeat sequences. Here, we report the near complete assignment of one of these six repeats, as well as the predicted backbone structure and dynamics. This data will provide a platform for future NMR studies to explore the ligand recognition motif of AtlE and help to uncover its potential role in E. faecalis virulence.

1H, 13C, 15 N backbone and side-chain NMR assignments for three MAX effectors from Magnaporthe oryzae

Effectors are small and very diverse proteins secreted by fungi and translocated in plant cells during infection. Among them, MAX effectors (for Magnaporthe Avrs and ToxB) were identified as a family of effectors that share an identical fold topology despite having highly divergent sequences. They are mostly secreted by ascomycetes from the Magnaporthe genus, a fungus that causes the rice blast, a plant disease leading to huge crop losses. As rice is the first source of calories in many countries, especially in Asia and Africa, this constitutes a threat for world food security. Hence, a better understanding of these effectors, including structural and functional characterization, constitutes a strategic milestone in the fight against phytopathogen fungi and may give clues for the development of resistant varieties of rice. We report here the near complete 1H, 15N and 13C NMR resonance assignment of three new putative MAX effectors (MAX47, MAX60 and MAX67). Secondary structure determination using TALOS-N and CSI.3 demonstrates a high content of β-strands in all the three proteins, in agreement with the canonic ß-sandwich structure of MAX effectors. This preliminary study provides foundations for further structural characterization, that will help in turn to improve sequence predictions of other MAX effectors through data mining.