Miracle-dz/UniFAR-FTUs huggingface dataset:
Reckoning γ-Glutamyl-S-allylcysteine as a potential main protease (mpro) inhibitor of novel SARS-CoV-2 virus identified using docking and molecular dynamics simulation

Abstract Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2 or COVID-19), outbreak was first reported in December 2019 in the Wuhan, China. COVID-19 managed to spread worldwide and so far more than 9.1 million cases and more than 4.7 lakh death has been reported globally. Children, pregnant women, elderly population, immunocompromised patients, and patients with conditions like asthma, diabetes, etc. are highly vulnerable to COVID infection. Currently, there is no treatment available for COVID-19 infection. Traditional medicinal plants have provided bioactive molecules in the past that are efficiently used during conditions like cancer, malaria, microbial infections, immune-compromised states, etc. AYUSH India has recommended the use of Curcuma longa, Allium sativum, Ocimum tenuiflorum, and Withania somnifera for immune-boosting during SARS-CoV-2 infection. In the present study, we investigated the potential of 63-major bioactive molecules of these plants against SARS-CoV-2 main protease (Mpro) through docking studies and compared the results with known inhibitor 11a. Our results proposed cuscohygrine, γ-Glutamyl-S-allylcysteine, anahygrine, and S-allylcystein as the potent inhibitors against Mpro identified using molecular docking and molecular simulation dynamics. Interestingly, these molecules are from A. sativum, and W. somnifera, which are known for their antimicrobial and immunomodulatory potential. None of the proposed molecules have earlier been reported as antiviral molecules. Our results predict very strong potential of these four-molecules against SARS-CoV-2 Mpro, especially γ-glutamyl-S-allylcysteine, as all four form hydrogen bonding with Glu166 that is a crucial residue for the formation of the biologically active dimeric form of Mpro. Therefore, we strongly recommend further research on these biomolecules against SARS-CoV-2.
From Hollow Carbon Spheres to N‐Doped Hollow Porous Carbon Bowls: Rational Design of Hollow Carbon Host for Li‐S Batteries

F. Pei, Dr. X. L. Fang Pen-Tung Sah Institute of Micro-Nano Science and Technology Xiamen University Xiamen , Fujian 361005 , China E-mail: x.l. fang@xmu.edu. cn T. H. An, J. Zang, X. J. Zhao, Dr. M. S. Zheng, Prof. Q. F. Dong, Prof. N. F. Zheng State Key Laboratory for Physical Chemistry of Solid Surfaces Collaborative Innovation Center of Chemistry for Energy Materials and Engineering Research Center for Nano-Preparation Technology of Fujian Province College of Chemistry and Chemical Engineering Xiamen University Xiamen , Fujian 361005 , China E-mail: nfzheng@xmu.edu. cn
FFCDH: Solution to Enable Face-to-Face Conversation between Deaf and Hearing People

A real time communication between deaf and hearing people is still a barrier that isolates the deaf people from the hearing world. Over ninety percent of deaf children are born to hearing parents. However, most of them can only learn how to communicate using sign language at school. One of the reasons is that the hearings parents have neither enough time nor support to learn sign language to communicate and support their children. Not surprisingly, the deaf finds difficulties in the oral-only education. Since many other hearing pupils do not even know about the existence of sign language, they cannot communicate directly with the deaf without a sign language interpreter. Therefore, to enable a face-to-face conversation between deaf and hearing people, it is important not only to sustain real time conversation between the deaf and their hearing counterparts but also to equip the hearing with basics of sign language. However, speech to sign conversion remains a challenge due to dialectal and sign language variation, speech utterance and lack of sign language written form. In this paper, a solution named Face-to-Face Conversation Deaf and Hearing people—FFCDH is proposed to address above issues. FFCDH supports real time conversation and also allows the hearing to learn the signs with the same meaning as the deaf understand. Moreover, FFCDH records the speech of the hearing and converts it into signs for the deaf. It also provides deaf with an option to adjust volume of their speech by displaying volume of their voice. The performance of the system in supporting the deaf has been evaluated by using a real test-bed. The obtained results show that English and Japanese daily conversation phrases can be recognized with over 90 percent accuracy on average. The average coherent of simple content is over 94 percent. However, when the speech includes long and complex phrases, the average accuracy and the coherent are slightly lower because the system could not comprehend long and complex context at large scope.
Mechanisms of Enhanced Thermoelectricity in Chalcogenides

Mechanisms of Enhanced Thermoelectricity in Chalcogenides Najebah Mohammad Alsaleh Thermoelectric materials can provide solutions to power generation and refrigeration challenges. Layered chalchogenides are of particular interest, with bismuth telluride and lead telluride being the most common compounds. Bismuth telluride is often used for room temperature applications, while its solid solutions with antimony or selenium as well as lead tellurides show better thermoelectric properties at elevated temperatures. Regrettably, the efficiency of the known thermoelectric materials is still low. Evidently, bringing thermoelectric energy harvesting to commercial viability is a materials challenge: How can we obtain materials with figure of merit above 3? This question drives the research community since the successes of nanoengineering in the 1990s. Nowadays, high-pressure technology is a promising frontier for making further advances in thermoelectric material performance. The main goal of this thesis is to understand the electronic and thermoelectric properties of selected materials using density functional theory and semi-classical Boltzmann transport theory. Bulk and monolayer CuSbS2 and CuSbSe2 are studied to clarify the role of the interlayer coupling for the thermoelectric properties. The calculated band gaps of the bulk compounds turn out to be in agreement with experiments and significantly higher than those of the monolayers, which thus show lower Seebeck coefficients. Since also the electrical conductivity is lower, the monolayers are characterised by lower power factors. Therefore, the interlayer coupling, even though it is weak, is found to be essential for the thermoelectric response. We study Cu(Sb,Bi)(S,Se)2 under hydrostatic pressure up to 8 GPa, considering the van 5 der Waals interaction, as these compounds have layered structures. We find an indirect band gap that decreases monotonically with increasing hydrostatic pressure. Only CuBiS2 shows an indirect-indirect band gap transition around 3 GPa, leading to conduction band convergence with a concomitant 20% increase in the Seebeck coefficient. This enhancement results from a complex interplay between multivalley and multiband effects as well as changes of the band effective masses. The variation of the electronic band structure of AB2Te4 (A = Pb, Sn and B = Bi, Sb) under hydrostatic pressure up to 8 GPa is analyzed in detail and its consequences for the material properties are explained.
Photoacoustic monitoring of angiogenesis predicts response to therapy in healing wounds

Chronic wounds are a major health problem that cause the medical infrastructure billions of dollars every year. Chronic wounds are often difficult to heal and cause significant discomfort. Although wound specialists have numerous therapeutic modalities at their disposal, tools that could three dimensional‐map wound bed physiology and guide therapy do not exist. Visual cues are the current standard but are limited to surface assessment; clinicians rely on experience to predict response to therapy. Photoacoustic (PA) ultrasound (US) is a non‐invasive, hybrid imaging modality that can solve these major limitations. PA relies on the contrast generated by haemoglobin in blood which allows it to map local angiogenesis, tissue perfusion and oxygen saturation—all critical parameters for wound healing. This work evaluates the use of PA‐US to monitor angiogenesis and stratify patients responding versus not‐responding to therapy. We imaged 19 patients with 22 wounds once a week for at least 3 weeks. Our findings suggest that PA imaging directly visualises angiogenesis. Patients responding to therapy showed clear signs of angiogenesis and an increased rate of PA increase (p = 0.002). These responders had a significant and negative correlation between PA intensity and wound size. Hypertension was correlated to impaired angiogenesis in non‐responsive patients. The rate of PA increase and hence the rate of angiogenesis was able to predict healing times within 30 days from the start of monitoring (power = 88%, alpha = 0.05). This early response detection system could help inform management and treatment strategies while improving outcomes and reducing costs.
Invalidate or Update? Revisiting Coherence for Tomorrow's Cache Hierarchies

Shared on-chip last-level caches (LLCs) play a key role in capturing the large working sets of today's data-intensive workloads. However, they pose a fundamental scalability challenge in the transistor-limited post-Moore regime. Recent work has argued for Next-Generation LLCs (NG-LLC) based on private caches in die-stacked DRAM, which can provide hundreds of MBs of per-core LLC capacity at similar access latency to today's shared LLCs. While NG-LLCs offer a number of advantages, their private design exposes long-latency inter-core reads for read/write shared data, which hurt performance in parallel workloads. One way to eliminate the long latency of reads to read/write shared data is through the use of updating coherence protocols that eagerly push updates from a writer core into caches of recent readers. Alas, these protocols are known to generate excess cache and interconnect traffic that can be detrimental to overall performance. While hybrid protocols that try to alleviate the problem by combining invalidating and updating protocols have been proposed, we find their performance benefit to be small for NG-LLCs. This work observes that the number of writes to a read/write shared cache block is likely to be stable over several consecutive write/read iterations. Based on this insight, we propose the 1-Update protocol that records the number of writes without an intervening read by a sharer, and subsequently uses the recorded value to send at most one update after that number of writes has taken place. We have formally verified 1-Update and show that it achieves high efficacy in covering remote misses for read/write shared cache blocks while minimizing excess cache and interconnect traffic.
Returns to the Introduction of New Sorghum Cultivars into the Dairy Industry of El Salvador

ACKNOWLEDGMENTS We would like to express our gratitude to CENTA, PROLECHE, INTSORMIL and especially to our principal collaborator Rene Clara. Rene pushed to have this study done and helped us during the last two years while we performed this study. We have furthermore to thank our collaborators INTRODUCTION The driver of agricultural development is the introduction of new technology. Sensitive 1 sorghums have long been a critical component of hillside Central American agriculture providing a reserve or insurance policy when the principal staple of maize falters. The insensitive sorghums have been more recently introduced since the '70s for planting in the valleys in the second season. In the last thirty years the introduction of new insensitive cultivars has accelerated initially for poultry and in the previous two decades for dairy production. This growth has been facilitated by strategic investments in research by CENTA and the Ministry of Agriculture. As incomes grow the demand for high quality foods, meat, milk, cheese, fruits and vegetables, accelerates. Milk and products from milk are principal beneficiaries of these demand 1 The sensitive sorghums are planted beneath the maize in the first season and wait for the light and rapid development until the maize is broken in the period between the two seasons (" canicula "). The sensitivity to light then insures that they will not compete with the maize but just wait their turn at the light. Insensitive sorghums are planted in monoculture in the second season. Photo-insensitive varieties are those whose flowering is not affected by the amount of daylight hours and flower regardless of the time they are planted. Photo-sensitive varieties (landraces) are those which flower only when days are short (November-December). Photo-insensitive sorghums need a greater amount of soil moisture for pollination and grain filling, compared with the photo-sensitive cultivars. In general, sorghum requires 550 mm of water throughout the growing season well distributed for optimum production (Clara, 2011). 3 shifts. To facilitate these consumption shifts agricultural research led by Rene Clara of CENTA focused on the development of a series of new cultivars. Since agricultural research and extension is expensive, we ask the returns on these public investments and who were the beneficiaries. Responding to these two questions is the objective of this paper. We will also make some recommendations for future research and policy. The dairy farms in El Salvador are concentrated in the middle and lower part of …
A study on environmental implication of people's perception and attitude towards forest conservation in Ikono Local Government Area, Akwa Ibom State-Nigeria

The purpose of this study is to investigate environmental implication of people's perception and attitude towards forest conservation in Ikono Local Government Area, Akwa Ibom State. Positive attitude towards environmental resources such as forest will promote conservation and sustainability. In order to achieve the set objective of this study, hypothesis and tested statistically at 0.05 level of significance. Using Pearson product moment correlation analysis. The design used for the sampling was the survey research design while the sampling procedure used was the simple random sampling technique. A well validated 29-item questionnaire tagged “Environmental Implication of people's perception and attitude towards Forest Conservation’’ was designed using the four point likert scale model and administered to a simple size of three hundred (300) persons drawn proportionally from the selected geo-political wards”. From the analysis, it was found that the hypothesis was significantly related to forest conservation. Based on these, it was recommended that government should embark on an enlightenment campaign of the people, emphasis should be place on importance and benefits to be derived from forest resources. Awareness will help in creating positive attitude, motivation and commitment of the people to adopt environmental sound approach in seeking livelihood.
RCMNet: A deep learning model assists CAR-T therapy for leukemia

Acute leukemia is a type of blood cancer with a high mortality rate. Current therapeutic methods include bone marrow transplantation, supportive therapy, and chemotherapy. Although a satisfactory remission of the disease can be achieved, the risk of recurrence is still high. Therefore, novel treatments are demanding. Chimeric antigen receptor-T (CAR-T) therapy has emerged as a promising approach to treating and curing acute leukemia. To harness the therapeutic potential of CAR-T cell therapy for blood diseases, reliable cell morphological identification is crucial. Nevertheless, the identification of CAR-T cells is a big challenge posed by their phenotypic similarity with other blood cells. To address this substantial clinical challenge, herein we first construct a CAR-T dataset with 500 original microscopy images after staining. Following that, we create a novel integrated model called RCMNet (ResNet18 with Convolutional Block Attention Module and Multi-Head Self-Attention) that combines the convolutional neural network (CNN) and Transformer. The model shows 99.63% top-1 accuracy on the public dataset. Compared with previous reports, our model obtains satisfactory results for image classification. Although testing on the CAR-T cell dataset, a decent performance is observed, which is attributed to the limited size of the dataset. Transfer learning is adapted for RCMNet and a maximum of 83.36% accuracy is achieved, which is higher than that of other state-of-the-art models. This study evaluates the effectiveness of RCMNet on a big public dataset and translates it to a clinical dataset for diagnostic applications.
“I shut it out”: expectant mothers’ fear of childbirth after a traumatic birth—a phenomenological study

ABSTRACT Purpose To describe expectant mothers’ experiences of fear of childbirth after a previous traumatic birth. Method Qualitative, individual, in-depth interviews were conducted with eight expectant mothers between September and November 2020. Data were analysed using a descriptive phenomenological approach. Results We identified four interconnected constituents: Suboptimal midwifery care, loss of control and agency; insufficient time and capacity to process a traumatic birth experience; “The baby has to be delivered! ”, and finally, the path to a new childbirth with the hope of mastering fears. Conclusion Findings reveal an association between a previous history of traumatic birth and a fear of childbirth in expectant mothers. The trauma they experienced whilst giving birth strongly impacted their subsequent pregnancy, making it difficult for them to deal with the new pregnancy and impending birth. Women who have experienced a traumatic birth need to have the opportunity to process the trauma. Routines must therefore be developed that identify, support and follow up with the women. If these women are identified and given the help they need, this may help prevent and/or alleviate fear of childbirth in their subsequent pregnancy.
Polar Dome during Arctic Spring and Summer using in-situ Air raft Measure e ts y

The springtime composition of the Arctic lower troposphere is to a large extent controlled by transport of midlatitude air masses into the Arctic, whereas during the summer . ✿✿✿ In ✿✿✿✿✿✿✿ contrast, ✿ precipitation and natural sources play the most important role ✿✿✿✿✿ during ✿✿✿✿✿✿✿ summer. Within the Arctic region , there exists ✿✿✿✿✿✿ sloping ✿✿✿✿✿✿✿✿ isentropes ✿✿✿✿✿✿ create a transport barrier, known as the polar dome, which results from sloping isentropes. The polar dome , which varies in space and time, ✿✿✿ and exhibits a strong influence on the transport of air masses from mid-latitudes, enhancing it ; ✿✿✿✿✿✿✿✿✿ enhancing ✿✿✿✿✿✿✿✿ transport ✿ during winter and inhibiting 5 it ✿✿✿✿✿✿✿ transport during summer. Furthermore, a definition for the location of the polar dome boundary itself is quite sparse in the literature. We analyzed aircraft based trace gas measurements in the Arctic during ✿✿✿✿ from ✿ two NETCARE airborne field campaigns (July 2014 and April 2015) with the Polar 6 aircraft of Alfred Wegener Institute Helmholtz Center for Polar and Marine Research (AWI), Bremerhaven, Germany, ✿✿✿✿ Polar ✿✿ 6 ✿✿✿✿✿✿✿ aircraft, covering an area from Spitsbergen to Alaska (134W to 17W and 68N to 10 83N). For the spring (April 2015) and summer (July 2014) season we analyzed ✿✿✿✿ Using ✿✿✿✿✿ these ✿✿✿✿ data ✿✿✿ we ✿✿✿✿✿✿✿✿✿✿✿ characterized ✿ transport regimes of mid-latitude air masses travelling to the high Arctic based on CO and CO2 measurements as well as kinematic 10-day back trajectories. The ✿✿✿ We ✿✿✿✿✿ found ✿✿✿ that ✿ dynamical isolation of the high Arctic lower troposphere caused by the transport barrier leads to gradients of chemical tracers reflecting different local chemical life times and ✿✿✿✿✿✿✿ lifetimes, ✿ sources and sinks. Particularly ✿ In ✿✿✿✿✿✿✿✿✿ particular, gradients of CO and CO2 allowed for a trace gas based definition of the polar dome boundary for the 15 two measurement periodswith , ✿✿✿✿✿✿ which ✿✿✿✿✿✿✿ showed pronounced seasonal differences. For both campaigns a transition zone rather ✿✿✿✿✿ Rather ✿ than a sharp boundarywas derived . For ✿ , ✿✿✿ we ✿✿✿✿✿✿ derived ✿✿ a ✿✿✿✿✿✿✿✿ transition ✿✿✿✿ zone ✿✿✿✿✿ from ✿✿✿✿ both ✿✿✿✿✿✿✿✿✿✿ campaigns. ✿✿ In ✿ July 2014 the polar dome boundary was determined to be ✿ at ✿ 73.5N latitude and 299− 303.5K potential temperature, respectively. During April 2015 the polar dome boundary was on average located at 66− 68.5N and 283.5− 287.5K. Tracer-tracer scatter plots and probability density functions confirm different air mass properties inside and outside of the polar dome for the July 2014 and 20
Stability theorems in geometry and analysis

Foreword to the English Translation. Preface to the First Russian Edition. 1. Introduction. 2. Mobius Transformations. 3. Integral Representations and Estimates for Differentiable Functions. 4. Stability in Liouville's Theorem on Conformal Mappings in Space. 5. Stability of Isometric Transformations of the Space Rn. 6. Stability in Darboux's Theorem. 7. Differential Properties of Mappings with Bounded Distortion and Conformal Mappings of Riemannian Spaces. References. Subject Index.
Observing How Glutathione and S-Hexyl Glutathione Bind to Glutathione S-Transferase from Rhipicephalus (Boophilus) microplus

Rhipicephalus (Boophilus) microplus is one of the most widespread ticks causing a massive loss to livestock production. The long-term use of acaracides rapidly develops acaracide resistance. In R. microplus, enhancing the metabolic activity of glutathione S-transferase (RmGST) is one of the mechanisms underlying acaracide resistance. RmGST catalyzes the conjugation of glutathione (GSH) to insecticides causing an easy-to-excrete conjugate. The active RmGST dimer contains two active sites (hydrophobic co-substrate binding site (H-site) and GSH binding site (G-site)) in each monomer. To preserve the insecticide efficacy, s-hexyl glutathione (GTX), a GST inhibitor, has been used as a synergist. To date, no molecular information on the RmGST-GSH/GTX complex is available. The insight is important for developing a novel RmGST inhibitor. Therefore, in this work, molecular dynamics simulations (MD) were performed to explore the binding of GTX and GSH to RmGST. GSH binds tighter and sits rigidly inside the G-site, while flexible GTX occupies both active sites. In GSH, the backbone mainly interacts with W8, R43, W46, K50, N59, L60, Q72, and S73, while its thiol group directs to Y7. In contrast, the aliphatic hexyl of GTX protrudes into the H-site and allows a flexible peptide core to form various interactions. Such high GTX flexibility and the protrusion of its hexyl moiety to the H-site suggest the dual role of GTX in preventing the conjugation reaction and the binding of acaracide. This insight can provide a better understanding of an important insecticide-resistance mechanism, which may in turn facilitate the development of novel approaches to tick control.
Rigid polyboxes and keller's conjecture

Abstract A cube tiling of ℝd is a family of axis-parallel pairwise disjoint cubes [0,1)d + T = {[0,1)d+t : t ∈ T} that cover ℝd. Two cubes [0,1)d + t, [0,1)d + s are called a twin pair if their closures have a complete facet in common. In 1930, Keller conjectured that in every cube tiling of ℝd there is a twin pair. Keller's conjecture is true for dimensions d ≤ 6 and false for all dimensions d ≥ 8. For d = 7 the conjecture is still open. Let x ∈ ℝd, i ∈ [d], and let L(T, x, i) be the set of all ith coordinates ti of vectors t ∈ T such that ([0,1)d+t) ∩ ([0,1]d+x) ≠ ø and ti ≤ xi. Let r−(T) = minx∈ℝd max1≤i≤d|L(T,x,i)| and r+(T) = maxx∈ℝd max1≤i≤d|L(T,x,i)|. It is known that Keller's conjecture is true in dimension seven for cube tilings [0,1)7 + T for which r−(T) ≤ 2. In the present paper we show that it is also true for d = 7 if r+(T) ≥ 6. Thus, if [0,1)d + T is a counterexample to Keller's conjecture in dimension seven, then r−(T), r+(T) ∈ {3, 4, 5}.