Miracle-dz/UniFAR-FTUs huggingface dataset:
Viscosity determination of amino resins during synthesis using near-infrared spectroscopy

Fourier transform near-infrared (FT-NIR) spectroscopy has been described as a powerful technique for online monitoring and control of polymerisation reactions. In this work, the technique was used to monitor the viscosity of urea-formaldehyde resins during the condensation reaction. The main objective of this study was to develop a chemometric technique that can be used for online or offline determination of the resin's viscosity during synthesis. The best model uses the spectral region between 5000 and 4246 cm−1 and the first derivative with vector normalisation for preprocessing.
Photoionization mass spectrometry of CH3SH, CD3SH, and CH3SD: Heats of formation of CH3S+(CH2SH+), CH2S+, CH2S, and HCS+

Photoionization yield curves have been obtained for the major ions from CH3SH. Auxiliary studies with selectively deuterated species reveal that CD3S+ has a slightly lower threshold than CD2SH+ from CD3SH; but CH2SD+ has a lower threshold than CH3S+ from CH3SD. An analysis of alternative interpretations is presented. The isotopic studies also imply that CH2S+ is more stable than HCSH+, and HCS+ is more stable than CSH+. The value ΔH°f,0(HCS+)≤259.2±0.9 kcal/mol obtained in this study is in good agreement with a bracketed proton affinity for CS, but differs significantly from a recent ab initio calculation. This result confirms the view that HCS+ can be formed in interstellar clouds by exothermic reactions. The reaction CH3S+/CH2SH+→HCS++H2 proceeds weakly at threshold, and much more strongly after overcoming an activation barrier of ∼0.9 eV.
Selective C–H Activation of Aliphatic Hydrocarbons under Phase‐Transfer Conditions

Bromination of aliphatic hydrocarbons with NaOH/CBr4 under phase-transfer conditions selectively gives the tertiary bromide. In the absence of a tertiary C–H bond in the molecule, a secondary bond will be activated (see reaction equation). This conceptionally new system for aliphatic C–H activation very likely relies on the initiation of single-electron transfer followed by a radical substitution with unusually high regioselectivity.
Evaluation of Clarias Anguillaris Treated with Spice (Piper guineense) for Washed Mince and Kamaboko-Type Product

Fresh catfish (Clarias anguillaris) was prepared into washed minced fish and treated with various concentrations of salt and Piper guineense, to form kamaboko. The products were examined for microbial count, trimethylamine (TMA) values, pH, water activity and sensory evaluation. The addition of Piper guineense has no effect on TMA values but significantly (P<0.05) reduced the microbial count on kamaboko. The decrease was proportional to the concentration used up to 1.5% (W/W) level. Sensory evaluation results indicated that kamaboko with higher levels ofPiper guineense was rated high with regard to taste and overall acceptability but rated low with regard to colour.
New Monte Carlo method to compute the free energy of arbitrary solids. Application to the fcc and hcp phases of hard spheres

We present a new method to compute the absolute free energy of arbitrary solid phases by Monte Carlo simulation. The method is based on the construction of a reversible path from the solid phase under consideration to an Einstein crystal with the same crystallographic structure. As an application of the method we have recomputed the free energy of the fcc hard‐sphere solid at melting. Our results agree well with the single occupancy cell results of Hoover and Ree. The major source of error is the nature of the extrapolation procedure to the thermodynamic limit. We have also computed the free energy difference between hcp and fcc hard‐sphere solids at densities close to melting. We find that this free energy difference is not significantly different from zero: −0.001
Pre-treatment Neutrophil-to-Lymphocyte Ratio Predicts Efficacy of Eribulin for Soft-tissue Sarcoma

Background: Eribulin is widely used for the treatment of breast cancer and soft-tissue sarcoma (STS). Previous studies identified the pre-treatment absolute lymphocyte count, baseline neutrophil-to-lymphocyte ratio (NLR) and C-reactive protein concentration as potential prognostic markers in patients with breast cancer treated with eribulin. However, prognostic factors for eribulin treatment in patients with STS have not been identified. Patients and Methods: This was a retrospective analysis of data collected prospectively from 53 patients who were treated with eribulin for recurrent or metastatic STS between March 2016 and August 2019. Univariate and multivariate analyses were performed to determine the predictive factors of durable clinical benefit, progression-free survival, and overall survival. Results: L-Sarcoma histology [hazard ratio (HR)=28.20, 95% confidence intervaI (CI)=1.67-476.00; p=0.021] and pre-treatment NLR <3.0 (HR=9.96, 95% CI=1.28-77.7; p=0.028) were independent factors predictive of durable clinical benefit. In addition, pre-treatment NLR <3.0 (HR=0.34, 95% CI=0.16-0.74; p=0.0059) and male sex (HR=0.23, 95% CI=0.10-0.52; p<0.001) were independent factors predictive of better progression-free survival. Conclusion: This retrospective study found that baseline NLR predicts the efficacy of eribulin for STS.
Structural basis for the regulation of nucleosome recognition and HDAC activity by histone deacetylase assemblies

Cryo-EM studies of the yeast HDAC complex with and without nucleosome reveal mechanistic insight into chromatin modification. The chromatin-modifying histone deacetylases (HDACs) remove acetyl groups from acetyl-lysine residues in histone amino-terminal tails, thereby mediating transcriptional repression. Structural makeup and mechanisms by which multisubunit HDAC complexes recognize nucleosomes remain elusive. Our cryo–electron microscopy structures of the yeast class II HDAC ensembles show that the HDAC protomer comprises a triangle-shaped assembly of stoichiometry Hda12-Hda2-Hda3, in which the active sites of the Hda1 dimer are freely accessible. We also observe a tetramer of protomers, where the nucleosome binding modules are inaccessible. Structural analysis of the nucleosome-bound complexes indicates how positioning of Hda1 adjacent to histone H2B affords HDAC catalysis. Moreover, it reveals how an intricate network of multiple contacts between a dimer of protomers and the nucleosome creates a platform for expansion of the HDAC activities. Our study provides comprehensive insight into the structural plasticity of the HDAC complex and its functional mechanism of chromatin modification.
The structure of enteric human adenovirus 41—A leading cause of diarrhea in children

A cryo-EM structure reveals unique traits of a human adenovirus that has acquired gastrointestinal tropism. Human adenovirus (HAdV) types F40 and F41 are a prominent cause of diarrhea and diarrhea-associated mortality in young children worldwide. These enteric HAdVs differ notably in tissue tropism and pathogenicity from respiratory and ocular adenoviruses, but the structural basis for this divergence has been unknown. Here, we present the first structure of an enteric HAdV—HAdV-F41—determined by cryo–electron microscopy to a resolution of 3.8 Å. The structure reveals extensive alterations to the virion exterior as compared to nonenteric HAdVs, including a unique arrangement of capsid protein IX. The structure also provides new insights into conserved aspects of HAdV architecture such as a proposed location of core protein V, which links the viral DNA to the capsid, and assembly-induced conformational changes in the penton base protein. Our findings provide the structural basis for adaptation of enteric HAdVs to a fundamentally different tissue tropism.
Single-crystalline epitaxial TiO film: A metal and superconductor, similar to Ti metal

Epitaxial TiO(001) film grown by MBE is found to be the only metal and superconductor among 3d transition-metal monoxides. Titanium monoxide (TiO), an important member of the rock salt 3d transition-metal monoxides, has not been studied in the stoichiometric single-crystal form. It has been challenging to prepare stoichiometric TiO due to the highly reactive Ti2+. We adapt a closely lattice-matched MgO(001) substrate and report the successful growth of single-crystalline TiO(001) film using molecular beam epitaxy. This enables a first-time study of stoichiometric TiO thin films, showing that TiO is metal but in proximity to Mott insulating state. We observe a transition to the superconducting phase below 0.5 K close to that of Ti metal. Density functional theory (DFT) and a DFT-based tight-binding model demonstrate the extreme importance of direct Ti–Ti bonding in TiO, suggesting that similar superconductivity exists in TiO and Ti metal. Our work introduces the new concept that TiO behaves more similar to its metal counterpart, distinguishing it from other 3d transition-metal monoxides.
Fuzzy Output Support Vector Machine Based Incident Ticket Classification

SUMMARY Incident ticket classiﬁcation plays an important role in the complex system maintenance. However, low classiﬁcation accuracy will result in high maintenance costs. To solve this issue, this paper proposes a fuzzy output support vector machine (FOSVM) based incident ticket clas-siﬁcation approach, which can be implemented in the context of both two-class SVMs and multi-class SVMs such as one-versus-one and one-versus-rest. Our purpose is to solve the unclassiﬁable regions of multi-class SVMs to output reliable and robust results by more ﬁne-grained analysis. Experiments on both benchmark data sets and real-world ticket data demonstrate that our method has better performance than commonly used multi-class SVM and fuzzy SVM methods.
Faster Rotation-Based Gauss Sieve for Solving the SVP on General Ideal Lattices

SUMMARY The hardness in solving the shortest vector problem (SVP) is a fundamental assumption for the security of lattice-based cryptographic algorithms. In 2010, Micciancio and Voulgaris proposed an algorithm named the Gauss Sieve, which is a fast and heuristic algorithm for solving the SVP. Schneider presented another algorithm named the Ideal Gauss Sieve in 2011, which is applicable to a special class of lattices, called ideal lattices. The Ideal Gauss Sieve speeds up the Gauss Sieve by using some properties of the ideal lattices. However, the algorithm is applicable only if the dimension of the ideal lattice n is a power of two or n + 1 is a prime. Ishiguro et al. proposed an extension to the Ideal Gauss Sieve algorithm in 2014, which is applicable only if the prime factor of n is 2 or 3. In this paper, we ﬁrst generalize the dimensions that can be applied to the ideal lattice properties to when the prime factor of n is derived from 2, p or q for two primes p and q . To the best of our knowledge, no algorithm using ideal lattice properties has been proposed so far with dimensions such as: 20, 44, 80, 84, and 92. Then we present an algorithm that speeds up the Gauss Sieve for these dimensions. Our experiments show that our proposed algorithm is 10 times faster than the original Gauss Sieve in solving an 80-dimensional SVP problem. Moreover, we propose a rotation-based Gauss Sieve that is approximately 1.5 times faster than the Ideal Gauss Sieve.
Optical Wireless Communication: A Candidate 6G Technology?

SUMMARY We discuss herein whether an optical wireless communication (OWC) system can be a candidate for post 5G or 6G cellular communication. Almost once per decade, cellular mobile communication is transformed by a signiﬁcant evolution, with each generation developing a distinctive concept or technology. Interestingly, similar trends have occurred in OWC systems based on visible light and light ﬁdelity (Li-Fi). Unfortunately, OWC is currently relegated to a limited role in any 5G scenario, but the debate whether this is unavoidable has yet to be settled. Whether OWC is adopted post 5G or 6G is not the vital issue; rather, the aim should be that OWC coexists with 5G and 6G communication technologies. In working toward this goal, research and development in OWC will continue to extend its beneﬁts and standardize its systems so that it can be widely deployed in the market. For example, given that a standard already exists for a visible-light beacon identiﬁer and Li-Fi, a service using this standard should be developed to satisfy user demand. Toward this end, we propose herein a method for visible-light beacon identiﬁcation that involves using a rolling shutter to receive visible-light communications with a smartphone camera. In addition, we introduce a rotary LED transmitter for image-sensor communication. key
Analysis of Work Efficiency and Quality of Software Maintenance Using Cross-Company Dataset

SUMMARY Software maintenance is an important activity in the software lifecycle. Software maintenance does not only mean removing faults found after software release. Software needs extensions or modiﬁcations of its functions owing to changes in the business environment and software maintenance also refers to them. To help users and service suppliers benchmark work e ﬃ ciency for software maintenance, and to clarify the relationships between software quality, work e ﬃ ciency, and unit cost of sta ﬀ , we used a dataset that includes 134 data points collected by the Economic Research Association in 2012, and analyzed the factors that a ﬀ ected the work e ﬃ ciency of software maintenance. In the analysis, using a multiple regression model, we clariﬁed the relationships between work e ﬃ ciency and programming language and productivity factors. To analyze the inﬂuence to the quality, relationships of fault ratio was analyzed using correlation co-e ﬃ cients. The programming language and productivity factors a ﬀ ect work e ﬃ ciency. Higher work e ﬃ ciency and higher unit cost of sta ﬀ do not a ﬀ ect the quality of software maintenance.
What are the Features of Good Discussions for Shortening Bug Fixing Time?

Resource limitations require that bugs be resolved efficiently. The bug modification process uses bug reports, which are generated from service user reports. Developers read these reports and fix bugs. Developers discuss bugs by posting comments directly in bug reports. Although several studies have investigated the initial report in bug reports, few have researched the comments. Our research focuses on bug reports. Currently, everyone is free to comment, but the bug fixing time may be affected by how to comment. Herein we investigate the topic of comments in bug reports. Mixed topics do not affect the bug fixing time. However, the bug fixing time tends to be shorter when the discussion length of the phenomenon is short. key words: bug report, pattern mining, text mining, discussion
A Novel Multi-Knowledge Distillation Approach

SUMMARY Knowledge distillation approaches can transfer information from a large network (teacher network) to a small network (student network) to compress and accelerate deep neural networks. This paper proposes a novel knowledge distillation approach called multi-knowledge distillation (MKD). MKD consists of two stages. In the ﬁrst stage, it employs autoencoders to learn compact and precise representations of the feature maps (FM) from the teacher network and the student network, these representations can be treated as the essential of the FM, i.e., EFM. In the second stage, MKD utilizes multiple kinds of knowledge, i.e., the magnitude of individual sample’s EFM and the similarity relationships among several samples’ EFM to enhance the generalization ability of the student network. Compared with previous approaches that employ FM or the hand-crafted features from FM, the EFM learned from autoencoders can be transferred more e ﬃ ciently and reliably. Furthermore, the rich information provided by the multiple kinds of knowledge guarantees the student network to mimic the teacher network as closely as possible. Experimental results also show that MKD is superior to the-state-of-arts.
Long-range dipolar interactions in computer simulations of polar liquids

Systematic Monte-Carlo studies of hard-sphere dipolar liquids are reported. A method proposed in a previous paper for evaluating the long-range dipolar interactions is developed and tested. The N-dependence of various thermodynamic properties is examined in an attempt to assess the accuracy with which these properties can be calculated by small-scale computer simulations. A direct comparison is made between the results of a computer simulation of an infinite periodic system and those obtained from the linearized hypernetted chain equation.
Metodologia para determinação das necessidades nutricionais de melão e melancia

This work was carried out aiming to determine nutritional requirements of nitrogen, phosphorus and potassium for melon and watermelon, as a function of estimated yield, and validate them with experimental data obtained from melon and watermelon trials carried out in Assu-Mossoro region. Melon trial followed a randomized block design, in a 3 x 3 + 3 factorial scheme with three replications, which consisted of combination of three doses of N (N1 = 42, N2 = 84 and N3 = 126 kg ha-1) and of K (K1 = 106, K2 = 212 and K3 = 322 kg ha-1), and three additional treatments (N0K0, N0K2 e N2K0), where N0 and K0 had no application of N and K. Watermelon trial followed the same design, with modification of doses of N (N1 = 45, N2 = 91 and N3 = 136 kg ha-1) and K (K1 = 78, K2 = 156 and K3 = 234 kg ha-1), with two additional treatments (N0K2 and N2K0). The model of better adjust, both for melon and watermelon, followed the relation of yield (kg planta-1) x exported nutrients (g planta-1). Agreement indexes observed between estimated values of total absorption of N and K and values obtained experimentally were considered acceptable, for melon and watermelon.
High-rate magnetron sputtering

This article reports on the process of high‐rate magnetron sputtering of solid materials using an unbalanced magnetron with extremely high target power densities of up to 150 W cm−2. Particular attention is devoted to a comparison of sputtering in the 10−1 Pa range, low pressure sputtering (<10−1 Pa), and self‐sputtering. The advantages and drawbacks of the sputtering process at different pressures are critically analyzed. The extinction pressure measured as a function of the magnetron discharge current for the magnetron discharge of Cu, Ag, and Ti targets is given. Deposition rates and selected properties of Ti and Cu films are also reported.
Synthesis, characterization and applications of polysiloxane networks with immobilized pyrogallol ligands

A porous, solid insoluble polysiloxane-immobilized ligand system bearing pyrogallol active sites of the general formula P(CH2)3NH(CH2)3OC6H3(OH)2 (where P represents [SiO]n siloxane network) has been prepared by the reaction of 3-aminopropylpolysiloxane with 1,3-dibromopropane followed by the reaction with pyrogallol. 13C CP-MAS NMR and X-ray photoelectron spectroscopy confirmed that the pyrogallol is chemically bonded to the siloxane backbone. Thermal analysis showed that the ligand system is stable under nitrogen at relatively high temperature. The polysiloxane–pyrogallol ligand system exhibits high potential for the uptake of the metal ions (Fe3+, Co2+, Ni2+ and Cu2+). Complexation of the pyrogallol ligand system for the metal ions at the optimum conditions was found to be in the order Fe3+ > Cu2+ > Ni2+ > Co2+. Copyright © 2005 John Wiley & Sons, Ltd.
Vibrational Spectroscopy of Zeolites

The sections in this article are The Structure of Zeolites and Zeotype Materials The Vibrational Spectra of Zeolites and of Zeolitic Materials: General Considerations Framework Modes IR Modes Associated with the BrOnsted Groups and their Modifications upon Interaction with Adsorbates The Spectrum of Free Bronsted Groups Modifications Induced by Adsorbates The Vibrational Spectra of Molecules Adsorbed on Charge Balancing Cations Cation and Cation-Sensitive Modes: Perturbations Induced by Adsorption Vibrational Spectra of Molecules Adsorbed on Strong Lewis Centers Vibrational Spectroscopies in Reaction Dynamics Studies on Zeolites
An excuse to misuse? Evaluating the use of prophylactic antibiotics in elective skin graft surgery: a systematic review and meta-analysis

Introduction: Plastic surgeons may opt to administer prophylactic perioperative antibiotics in elective skin graft surgeries to curtail the risk of surgical site infections (SSI). However, the use of antibiotics brings the risk of adverse events or antibiotic resistance and evidence comparing the risk versus benefit is still lacking. Thus, there are no specific guidelines regarding the use of antibiotics prophylaxis in skin graft surgery and the potential for misuse of antibiotics is high. Methodology: A systematic literature search was conducted to retrieve all articles comparing the use versus nonuse of “prophylactic antibiotics” in “skin graft surgery” on March 29, 2020. All comparative study designs were considered for inclusion. The primary outcome was occurrence of SSI. A meta-analysis using the Mantel-Haenszel method with random effect model was used to pool the effect estimates from included studies. Result: A total of 1403 articles were identified, of which, 6 were included in the meta-analysis. The 6 articles included were all comparative studies (5 RCTs and 1 cohort study) and reported the outcomes of 391 patients and 404 grafts. A total of 202 patients received prophylactic antibiotics and 202 patients did not receive antibiotics. All 6 studies were included in the meta-analysis. The overall pooled effect estimates comparing treatment groups showed no significant difference for outcomes in terms of SSI (odds ratio: 0.43; 95% confidence interval: 0.18, 1.02; I2 0%; P=0.06). Conclusion: Incidence of SSI in elective skin graft surgery is relatively low. Our data shows there is limited utility in the use of prophylactic antibiotics to prevent clinically significant SSI in patients undergoing elective skin graft surgery. However, there are still only a small number of studies conducted on the topic to date, and more work is required before definitive conclusions can be used.
Assembly process and structure of the platelet Glycoprotein Ib membrane receptor studied through multi-scale simulations

Lipid-protein interactions play key roles in living organisms. During hemostasis, platelets adhere to sites of vascular injury to create a plug that ceases bleeding and there is evidence suggesting that the platelet receptors intervening in this process are regulated by lipid-protein interactions. In particular, the glycoprotein Ib receptor has been shown to only be activated in the presence of glycosphingolipid-enriched lipid rafts. However, the molecular mechanism for this lipid-mediated activation remains poorly understood. Here, we address this question by modeling the complex and performing both multiple microseconds coarse-grained and enhancedsampling atomistic molecular dynamics simulations. Our preliminary simulations revealed the mechanism by which the glycoprotein Ib subunits assemble to form a functional complex. Our data highlight key interacting residues for the complex’s stability and give insights into the role of glycosphingolipid rafts for the function of this receptor.