Miracle-dz/UniFAR-FTUs huggingface dataset:
Classical molecular dynamics on graphics processing unit architectures

Molecular dynamics (MD) has experienced a significant growth in the recent decades. Simulating systems consisting of hundreds of thousands of atoms is a routine task of computational chemistry researchers nowadays. Thanks to the straightforwardly parallelizable structure of the algorithms, the most promising method to speed‐up MD calculations is exploiting the large‐scale processing power offered by the parallel hardware architecture of graphics processing units or GPUs. Programming GPUs is becoming easier with general‐purpose GPU computing frameworks and higher levels of abstraction. In the recent years, implementing MD simulations on graphics processors has gained a large interest, with multiple popular software packages including some form of GPU‐acceleration support. Different approaches have been developed regarding various aspects of the algorithms, with important differences in the specific solutions. Focusing on published works in the field of classical MD, we describe the chosen implementation methods and algorithmic techniques used for porting to GPU, as well as how recent advances of GPU architectures will provide even more optimization possibilities in the future.
Investigating the functional coupling between Rad50 ATP active sites

The Mre11/Rad50 complex plays an essential role in the repair of DNA doublestrand breaks by initiating the processing of the DNA ends. The MR complex is made up of two subunits of the Mre11 nuclease and two subunits of the Rad50 ATPase. The precise role of Rad50’s ATPase activity is unclear. Some reports suggest that the ATP acts as an allosteric switch that turns on the activity of Mre11, while others suggest ATP is used to power translocation or unwinding of DNA. To test this hypothesis in Rad50, we developed a method to create heterodimeric Rad50 so that that ATP sites can be individually controlled. Using two active site mutations (E505Q and D512A), a heterodimeric Rad50 containing a single functioning ATP active site was generated and purified. Characterization of the single ATP site heterodimer indicates that in the absence of Mre11 and DNA, the two active sites act in an independent fashion. Upon complex formation with Mre11 and DNA, the active sites now display strong coupling, such that DNA no longer acts as an allosteric activator of Rad50 ATP hydrolysis. Additionally, it was found that the MR complex with a single ATP site is no longer able to perform multiple nucleotide excisions during a single binding event. Overall, these results support the hypothesis that the MR complex acts as a motor protein that requires coordination between ATP sites for processive nuclease activity.
Highly Stable Multiresponsive Photonic Hydrogels Based on a Crosslinked Acrylamide-N-Isopropylacrylamide co-Polymer

Abstract The multresponsive photonic hydrogels (MRPHs) based on Fe3O4@C NPs and Acrylamide-N-isopropylacrylamide (AM-NIPAM) was prepared by UV polymerization process with the help of magnetic field. This work is mainly about the long-term stability of MRPHs. The mechano-response performance of MRPHs after being remained in water for a year has been measured and discussed in details. The result shows that the MRPHs were still very sensible and exhibit brilliant structure color. The reflectance peak of MRPHs changed markedly (from 700 nm to 550 nm) as increasing compression from 0 to 1N and the structure color change can be made reversible for ∼100 times or even more if necessary. Besides, the structure color of MRPHs was broken after being natural air-dried for 3 months and it can recover when dried MRPHs were immerged in water for 10 hours. So the MRPHs have good stability and the structure color can persevere for long time without fading, which contributes to the piratical application of MRPHs used as sensors.
Amphotericin-B and vancomycin-loaded chitosan nanofiber for antifungal and antibacterial application

In the present study, a mucoadhesive non-woven fiber mat (d= 116 nm) was fabricated by the electrospinning method using chitosan (80% Wt), polyethylene oxide (10% Wt), cysteine (4% Wt) and drugs (6% Wt), respectively. In addition, a comparative study was conducted to define effect of drugs and mucoadhesive agent on the nanofiber formation. FTIR, SEM, DSC and DMA were used to investigate the chemical and physical properties of the nanofibers. In vitro release of the drugs was assessed over a 48-hour period by the total immersion method. Release data were fitted to kinetic models, including the zero-order, first-order, Higuchi matrix, and Hixson–Crowell. Zone inhibition investigations were used to describe the inhibition content of vancomycin and amphotericin B loaded in the mats. The SEM images displayed a slight decrease in the fiber diameter with adding drugs and mucoadhesive agents. FTIR spectra confirmed that any undesirable reaction between VAN–AMB and CS-PEO was not observed. DSC test recognized the uniform distribution of drugs in the polymeric bead of the fiber without any crystal form. The elasticity modulus of the nanofiber was in an acceptable range for oral mucosa (approximately 5 Mpa). The results indicated that biodegradable mucoadhesive nanofibrous membranes released high concentrations of VAN in the first 24 hours, but the AMB release was affected in more controlled phenomena.
Extraction of Copper and Zinc from Waste Printed Circuit Boards

The recovery of valuable metals from waste printed circuit boards (WPCBs) is crucial in order to harness their economic resources, and prevents potential environmental contamination. However, selective extraction of Cu and Zn, and the co-extraction of other metals as impurities at ambient temperature using selected lixiviants such as HCl, H2SO4, HNO3, trifluoromethanesulfonic acid (TFMS), NaOH, and mixtures of NaCl and CuCl2 was studied. It is shown that the extraction efficiencies of all the metals increased with increases in lixiviant concentrations. High selectivity of Cu and Zn toward Fe were achieved in dilute H2SO4, HNO3, TFMS, and 0.5 M NaCl + 0.1 M CuCl2, and low dissolution of Pb (<5%) was observed in all H2SO4 lixiviants. Almost 100% Zn extraction using NaOH lixiviants without trace of other metals was achieved. Therefore, 0.5 M NaCl + 0.5 M CuCl2, 1.0 M HNO3, 0.5 M H2SO4, and 1.0 M TFMS showed high extraction selectivity toward Cu and Zn with low chemical consumption, and produced pregnant leach solution rich in Cu and Zn, as well as residue containing Fe, Ni, and other metals.
Physiological and sanitary performance of soybean seeds during storage after phosphine fumigation

Abstract: To maintain the physical, physiological and sanitary qualities of soybean seeds during storage, efficient control of pests must be considered. Fumigation is a technique used to eliminate pests that infest stored seeds, but there is no information on possible toxic effects on the seed and the microorganisms in the seeds fumigated several times during storage. An experiment was conducted to ascertain its effect on germination, viability, and vigor (tetrazolium, accelerated aging, and seedling length tests) and on the microorganisms associated with the soybean seeds. The study was conducted on soybean seeds which were exposed to three phosphine fumigations over the period of 210 days of storage in a completely randomized statistical design. The treatments were three concentrations of phosphine (PH3.m-3) at 1.0, 2.0 and 3.0 g.m-3 and the control without application of phosphine, applied three times on the same group of the seeds throughout the storage period. The fumigation chambers were made of plastic sheet impermeable to phosphine gas. Seed fumigation did not modify the physiological performance of the soybean seeds. It also did not affect the viability of the fungi and bacteria in the seeds.
The Relationship between Low-Level Cloud Amount and Its Proxies over the Globe by Cloud Types

Abstract. We extend upon previous work to examine the relationship between low-level cloud amount (LCA) and various proxies for LCA – estimated low-level cloud fraction (ELF), lower-tropospheric stability (LTS), estimated inversion strength (EIS), and estimated cloud-top entrainment index (ECTEI) – by low-level cloud types (CL) over the globe using individual surface and upper-air observations. Individual CL has its own distinct environmental structure, and therefore our extended analysis by CL can provide insights into the strength and weakness of various proxies and help to improve them. Overall, ELF performs better than LTS/EIS in diagnosing the variations in LCA among various CLs, indicating that a previously identified superior performance of ELF to LTS/EIS as a global proxy for LCA comes from its realistic correlations with various CLs rather than with a specific CL. However, ELF as well as LTS/EIS has a problem in diagnosing the decrease in LCA when CL0 (no low-level cloud) is reported and the increase of LCA when CL12 (cumulus) is reported over the deserts where background stratus does not exist. This incorrect diagnosis of CL0 as a cloudy condition is more clearly seen in the analysis of individual CL frequencies binned by proxy values. If CL0 is excluded, all ELF/LTS/EIS have good inter-CL correlations with the amount-when-present (AWP) of individual CLs. In future, an advanced ELF needs to be formulated to deal with the dissipation of LCA when the inversion base height is lower than the lifting condensation level, to diagnose cumulus updraft fraction as well as the amount of stratiform clouds and detrained cumulus, and to parameterize the scale height as a function of appropriate environmental variables.
Writing for academic journals, 2nd edition

'Academics are expected to write but seldom consider and discuss the nature of academic writing. As a result, the practice is shrouded in mystery. "Writing for Academic Journals" makes explicit much of what is normally opaque and it should be among the first ports of call for any academic who is contemplating getting published. This new edition achieves the near-impossible: improving on what was already acknowledged as a first-rate compendium' - Professor Ronald Barnett, Institute of Education, University of London, UK. 'Our experience is that Rowena's practical approach works for busy academic staff. Not only does it enable them to increase their publication output and meet deadlines, but it boosts enthusiasm for writing and stimulates creative thinking' - Kate Morss, Director, Queen Margaret University College, Edinburgh, UK. This book unravels the process of writing academic papers. It tells readers what good papers look like and how they can be written. Busy academics must develop productive writing practices quickly. No one has time for trial and error. To pass external tests of research output we must write to a high standard while juggling other professional tasks. This may mean changing our writing behaviors. "Writing for Academic Journals, Second Edition", has been comprehensively updated to include the most recent research and theory in order to provide new knowledge on writing across the disciplines. Drawing on her extensive experience of running writing workshops and working closely with academics on developing writing, Rowena Murray offers practical and tested strategies for good academic writing.
Effect of boiling time on the contents of flavor and taste in
 Lentinus edodes

The changes of flavor components during boiling in Lentinus edodes were studied by high‐performance liquid chromatography and gas chromatography‐mass spectrometry in this article. Results showed that nonvolatile flavor components in L. edodes gradually transferred into the soup during boiling. Contents of nonvolatile flavor substances in the soup increased significantly (p < .05) compared with the preboiling period (15 minutes) and gradually maintained a balanced situation with the boiling time extended. During boiling, content of alcohols gradually reduced, especially the content of 1‐octen‐3‐ol, which is a typical flavor component in L. edoedes. The contents of sulfur compounds, aldehydes, and hydrocarbons increased first and finally decreased gradually with the boiling time extended. Therefore, the changes of flavor components in the soup almost maintained a balanced situation with the boiling time from 30 to 60 minutes. The results of this article could provide a theoretical basis for the changes of flavor compounds in L. edodes during boiling.
Characterization of phytase enzymes as feed additive for poultry and feed

One of the obstacles to utilizing rice bran as feed is the presence of antinutrition in the form of phytic acid which binds in minerals to form complex compounds with P, Mg, Mn, Fe, Zn, Ca. Phytic acid and its salts are the main forms of P, Mg, Mn, Fe, Zn, Ca deposits contained in cereals, legume and grains, about 60-90% of total minerals P, Mg, Mn, Fe, Zn, Ca in the form of phytic acid or phytate salts. Phytate is one of the enzymes belonging to the phosphatase group capable of hydrolyzing phytate compounds of myo-inositol (1,2,3,4,5,6) hexsa phosphatase into myo-inositol and organic phosphat. The aim of this study was to obtain characterization of phytase enzymes from isolate Actinobacillus sp. , Bacillus pumilus, Bacillus vallimortis and IBR-1. Determination of phytase activity and the absorbance was measured using a UV-Vis spectrophotometer at a wavelength of 392 nm. The result of Actinobacillus sp, Bacillus pumilus, Bacillus vallimortis, IBR-1 each having optimum temperature were 50°C, 40°C, 45°C, 45°C, and optimum pH were 4, 4, 5.5. Bacteria especially Actinobacillus sp, Bacillus pumilus, Bacillus vallimortis, IBR-1 are proven capable of producing the high enough phytase enzymes required for mineral availability for livestock and fish.
Apoptosis: Insight into Stages, Extrinsic and Intrinsic Pathways

Background: Apoptosis is a vital process for normal cell turnover, proper development and functioning of the immune system, embryonic development and chemical-induced cell death. Objectives: The present review aims to spotlight on the stages and mechanisms of programmed cell death. Apoptosis, known as programmed cell death, is a homeostatic mechanism that generally occurs during development and aging in order to keep cells in tissue. It can also act as a protective mechanism, for example, in immune response or if cells are damaged by toxin agents or diseases. In cancer treatment, drugs and irradiation used in chemotherapy leads to DNA damage, which results in triggering apoptosis through the p53 dependent pathway in cancer treatment, drugs and irradiation used in chemotherapy leads to DNA damage, which results in triggering apoptosis through the p53 dependent pathway. Corticosteroids can cause apoptotic death in a number of cells. A number of changes in cell morphology are related to the different stages of apoptosis, which includes nuclear DNA fragmentation, cell shrinkage, chromatin condensation, membrane blebbing, and the formation of apoptotic bodies. There are three pathways for apoptosis, the intrinsic (mitochondrial) and extrinsic (death receptor) are the two major paths that are interlinked and that can effect one another. Conclusion: It can be concluded that apoptosis is a homeostatic mechanism that generally occurs during development and aging in order to keep cells in tissue. Drugs and irradiation used in chemotherapy leads to DNA damage, which results in triggering apoptosis through the p53 dependent pathway. The apoptosis, stages are includes nuclear DNA fragmentation, cell shrinkage, chromatin condensation, membrane blebbing, and the formation of apoptotic bodies. There are three pathways for apoptosis.
A Survey on Matching of Shoeprint with Reference Footwear in Forensic Study

Footwear impression marks on the outside surface of shoes are distinctive patterns and an important forensic clue often found at offense scenes. However, in many cases, the footwear mark is treated with improper evidence due to difficulties in visibility and understanding. This paper presents a thorough review of matching algorithms along with enhancement techniques of shoeprint in the forensic study. Finally, it shows some research directions.
Gelatin capsule residue‐based films crosslinked with the natural agent genipin

This study focused on the development and characterization of biodegradable films based on gelatin capsule residue crosslinked with the natural agent genipin extracted from genipap (Genipa americana L.). Their potential on maintaining the quality attributes (level of peroxides, conjugated dienes and trienes and color) of extra‐virgin olive oil under accelerated storage conditions was investigated. Results showed that the genipin‐crosslinked films had a dark blue appearance. Their total soluble matter, water vapor permeability, tensile strength, ultraviolet and visible light barriers and thermal properties were improved in relation to the uncrosslinked film, whereas their moisture content and microstructure were not affected. In general, films presented comparable properties to those of glutaraldehyde‐crosslinked films. The developed films successfully protected the packed oil from primary and secondary oxidation and maintained the color over the storage period. Therefore, this study demonstrated the effectiveness of genipin on improving the properties of gelatin‐based films and the promising application of films as food packaging.
Electronic and Electrical Servicing, Second Edition: Consumer and Commercial Electronics

Electronic and Electrical Servicing - Level 3 follows on from the Level 2 book and covers the more advanced electronics and electrical principles required by service engineers servicing home entertainment equipment such as TVs, CD and DVD machines, as well as commercial equipment including PCs.All the core units of the Level 3 Progression Award in Electrical and Electronics Servicing (Consumer/Commercial Electronics) from City & Guilds (C&G 6958) are covered. The book also offers a fully up-to-date course text for the City & Guilds 1687 NVQ at Level 3.The book contains numerous worked examples to help students grasp the principles. Each chapter ends with review questions, for which answers are provided at the end of the book, so that students can check their learning.Units covered:Unit 1 - Electronic principlesUnit 2 - Test and measurementUnit 3 - Analogue electronicsUnit 4 - Digital electronicsIan Sinclair has been an author of market-leading books for electronic servicing courses for over 20 years, helping many thousands of students through their college course and NVQs into successful careers. Now with a new co-author, John Dunton, the new edition has been brought fully up-to-date to reflect the most recent technical advances and developments within the service engineering industry, in particular with regard to television and PC servicing and technology.Level 2 book:Electronic and Electrical Servicing, ISBN 978-0-7506-6988-7, covers the 5 core units at Level 2, plus the option units Radio and television systems technology (Unit 6) and PC technology (Unit 8). * Complete coverage of the core units of the 6958 PA Level 3 syllabus* Level 2 book also available* A new edition of a title which has been the market leading electronic servicing text for over 20 years
Ferromagnetic Resonance of Single-Crystalline La0.67Sr0.33MnO3 Thin Film Integrated on Silicon

Integration of high-quality multifunctional oxide thin films in silicon technology promises a wide range of potential applications in low loss spintronic devices such as sensors, detectors, data storage media, and so on. However, the heteroepitaxial growth of functional complex oxides on silicon substrates has been proved challenging, which limits the development of semiconductor-based spintronic devices. In this work, epitaxial single-crystalline La0.67Sr0. 33MnO3 (LSMO) thin films have been integrated on silicon substrates by epitaxy and transfer carried out at room temperature. The microwave magnetisms of the LSMO thin films transferred on silicon substrates have been investigated under multiple directions of magnetic field by ferromagnetic resonance. The transferred LSMO thin films on silicon substrates preserve the microwave magnetic characteristics of the primary as-grown LSMO thin films. Our results demonstrate that the epitaxy and transfer method has enormous potential in future spintronic applications of functional oxide devices compatible with semiconductor technology without thermal damage.
Research on Modification of Ni-rich Lithium Ion Battery by MgO

Rich Nickel transition metal oxides with layered structure are promising cathode materials for LIBs. However, their poor cycling performance limits the expansion of their applications. In my article MgO was used to modify the Ni-rich materials. The crystal structure of the Rich Nickel materials was studied by X-Ray Diffraction(XRD) and Scanning Electron Microscope(SEM). The electro-chemical performance was studied by charge-discharge test. Our results showed that, in the charge/discharge measurement, the electrochemical performance of MgO modified sample is better than unmodified sample. As well as when the MgO radio was 2%, the sample showed the optimum properties. The initial discharge capacity was 184 mAh/g and 155 mAh/g at 0.1C and at 1C, respectively. After 100cycles at 1C, the discharge capacity kept 90% at 1C.
Sarcolipin a novel regulator of the cardiac sarcoplasmic reticulum calcium ATPase.

40 Introduction. 41 Materials and Methods. 43 Results. 50 Discussion. 65 Chapter 4: Ablation of Sarcolipin enhances sarcoplasmic reticulum calcium transport and atrial contractility. 69 Abstract. 69 Introduction. 70 Materials and Methods. 71 Results. 76 Discussion. 89 Chapter 5: Role of Threonine 5 phosphorylation in Sarcolipin function. 94 Abstract. 94 Introduction. 95 Materials and Methods. 97 Results. 102 Discussion. 109