bluuebunny/crossref_metadata_2025_split huggingface dataset:
Conservative drain management increases the incidence of grade B postoperative pancreatic fistula without increasing serious complications: Does persistent drainage reflect the quality of pancreatic surgery or institutional policy?
Authors: Takeda Yoshinori , Saiura Akio , Takahashi Yu , Inoue Yosuke , Mise Yoshihiro , Ito Hiromichi 
Published: October 2020

AbstractBackgroundAmong grade B/C postoperative pancreatic fistula (POPF), the clinical burden of patients treated with persistent drainage alone was reported to be less. As the clinical difference might depend on drain management, we evaluated their clinical burden under conservative drain management.MethodsWe included 292 patients who underwent pancreaticoduodenectomy or distal pancreatectomy between 2013 and 2015. Patients with grade B POPF were categorized into those receiving persistent drainage alone (B‐drain) and those receiving other treatments (B‐other). The clinical burden of these groups and patients with biochemical leakage (BL) was compared.ResultsBL, grade B POPF, and grade C POPF occurred in 42 (14%), 93 (32%), and 4 (1.4%) patients, respectively. The B‐drain group comprised 61% of grade B POPF. The overall major morbidity (Clavien–Dindo grade ≥ 3) in the B‐drain group was significantly lower than in the B‐other group (18% vs 50%, P = .001) but was comparable to that of the BL group (19%, P = .848). The POPF‐related major morbidity in the B‐drain and B‐other group were 0% and 25%, respectively (P < .001).ConclusionsUnder conservative drain management, patients with grade B POPF frequently experienced persistent drainage alone and the clinical burden of B‐drain group and BL group was comparable.
Syntheses of novel 1,5‐benzodiazepinederivatives: Crystal structures, spectroscopic characterizations, Hirshfeld surface analyses, molecular docking studies,DFTcalculations, corrosion inhibition anticipation, and antibacterial activities
Authors: El Ghayati Lhoussaine , Sert Yusuf , Sebbar Nada Kheira , Ramli Youssef , Ahabchane Noureddine Hamou , Talbaoui Ahmed , Mague Joel T. , El Ibrahimi Brahim , Taha Mohamed Labd , Essassi El Mokhtar , Al‐Zaqri Nabil , Alsalme Ali 
Published: October 2020

AbstractA series of newly pyrazolo‐1,5‐benzodiazepine derivatives (5‐7) was performed and characterized by using1H,13C‐NMR spectroscopic measurements. The molecular and crystal structures of two compounds2and7have also been further examined by single‐crystal X‐ray crystallography showing that the alkyl groups are beard by sulfur atom and to pyrazolic nitrogen atom in position 2 and not in position 1 of the tricyclic compounds as described in the literature. In addition, through Hirshfeld surface analysis, molecular docking studies, and DFT calculations, the closest contact between the active atoms of the compound can be determined. Also, the Monte Carlo simulations outcomes show that compounds2and7can be considered as a good acidic corrosion inhibitor for the aluminum metal, while emphasizing that the compound7provides enhanced prevention. Finally, compounds1to7were evaluated for their antibacterial activity against Gram‐positive and Gram‐negative microbial strains such asEscherichia coli,Pseudomonas aeruginosa,Staphylococcus aureus, andStreptococcus. The results obtained demonstrated the antibacterial activity of compounds 1 to 7 tested using the minimal inhibitory concentration.
Vaccine design based on 16 epitopes of SARS‐CoV‐2 spike protein
Authors: He Jinlei , Huang Fan , Zhang Jianhui , Chen Qiwei , Zheng Zhiwan , Zhou Qi , Chen Dali , Li Jiao , Chen Jianping 
Published: October 2020

AbstractThe global outbreak of severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) urgently requires an effective vaccine for prevention. In this study, 66 epitopes containing pentapeptides of SARS‐CoV‐2 spike protein in the IEDB database were compared with the amino acid sequence of SARS‐CoV‐2 spike protein, and 66 potentially immune‐related peptides of SARS‐CoV‐2 spike protein were obtained. Based on the single‐nucleotide polymorphisms analysis of spike protein of 1218 SARS‐CoV‐2 isolates, 52 easily mutated sites were identified and used for vaccine epitope screening. The best vaccine candidate epitopes in the 66 peptides of SARS‐CoV‐2 spike protein were screened out through mutation and immunoinformatics analysis. The best candidate epitopes were connected by different linkers in silico to obtain vaccine candidate sequences. The results showed that 16 epitopes were relatively conservative, immunological, nontoxic, and nonallergenic, could induce the secretion of cytokines, and were more likely to be exposed on the surface of the spike protein. They were both B‐ and T‐cell epitopes, and could recognize a certain number of HLA molecules and had high coverage rates in different populations. Moreover, epitopes 897‐913 were predicted to have possible cross‐immunoprotection for SARS‐CoV and SARS‐CoV‐2. The results of vaccine candidate sequences screening suggested that sequences (without linker, with linker GGGSGGG, EAAAK, GPGPG, and KK, respectively) were the best. The proteins translated by these sequences were relatively stable, with a high antigenic index and good biological activity. Our study provided vaccine candidate epitopes and sequences for the research of the SARS‐CoV‐2 vaccine.
Mutations in membrane‐fusion subunit of spike glycoprotein play crucial role in the recent outbreak of COVID‐19
Authors: Podder Soumita , Ghosh Avishek , Ghosh Tapash 
Published: October 2020

AbstractCoronavirus disease‐2019 (COVID‐19), the ongoing pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) is a major threat to the entire human race. It is reported that SARS‐CoV‐2 seems to have relatively low pathogenicity and higher transmissibility than previously outbroke SARS‐CoV. To explore the reason of the increased transmissibility of SARS‐CoV‐2 compared with SARS‐CoV, we have performed a comparative analysis on the structural proteins (spike, envelope, membrane, and nucleoprotein) of two viruses. Our analysis revealed that extensive substitutions of hydrophobic to polar and charged amino acids in spike glycoproteins of SARS‐CoV2 creates an intrinsically disordered region (IDR) at the beginning of membrane‐fusion subunit and intrinsically disordered residues in fusion peptide. IDR provides a potential site for proteolysis by furin and enriched disordered residues facilitate prompt fusion of the SARS‐CoV2 with host membrane by recruiting molecular recognition features. Here, we have hypothesized that mutation‐driven accumulation of intrinsically disordered residues in spike glycoproteins play dual role in enhancing viral transmissibility than previous SARS‐coronavirus. These analyses may help in epidemic surveillance and preventive measures against COVID‐19.
Impacts of climate change on heating and cooling degree‐hours over China
Authors: Shi Ying , Han Zhenyu , Xu Ying , Xiao Chan 
Published: October 2020

AbstractBased on hourly temperature data collected from 2,307 meteorological stations over China and two sets of climate change simulations over East Asia using the regional climate model version 4.4 (RegCM4.4) driven by the global models of HadGEM2‐ES and MPI‐ESM‐MR, future changes of heating and cooling degree‐hours (HDH and CDH) at the end of the 21st century under RCP4.5 scenario are investigated. Compared against the observation, the spatial distribution, magnitude and annual cycle of present‐day HDH and CDH at different times, as well as the diurnal cycle of them can be realistically simulated by the model. Meanwhile, some bias can also be found and it varies with the times, especially for CDH. At the end of the century, significant decrease of HDH can be found over the Tibetan Plateau, the northern part of Northeast China, and Northwest China at each times while increase of CDH are observed at all the times except some parts of the Tibetan Plateau where the CDH remains zero due to the cold climate there. But for different times, some differences are found in HDH decrease and CDH increase. For example, the changes of HDH at the fifth to the seventh times present a weaker decrease in the northwestern basins compared to other times and the CDH increase are more significant at the fifth and the sixth times. The regional mean changes of HDH and CDH over China in the 21st century (2006–2098) also diverge among different times, which indicates the degree‐hours is needed to precisely calculate the hourly heating and cooling energy demand and then the heating and cooling degree days.
First‐year complications after immediate breast reconstruction with a biological and a synthetic mesh in the same patient: A randomized controlled study
Authors: Hansson Emma , Edvinsson Ann‐Chatrin , Elander Anna , Kölby Lars , Hallberg Håkan 
Published: October 2020

AbstractBackgroundEven though meshes and matrices are widely used in breast reconstruction, there is little high‐quality scientific evidence for their risks and benefits. The aim of this study was to compare first‐year surgical complication rates in implant‐based immediate breast reconstruction with a biological mesh with that of a synthetic mesh, in the same patient.MethodsThis study is a clinical, randomized, prospective trial. Patients operated on with bilateral mastectomy and immediate breast reconstruction were randomized to biological mesh on one side and synthetic mesh on the other side.ResultsA total of 48 breasts were randomized. As the synthetically and the biologically reconstructed breasts that were compared belonged to the same woman, systemic factors were exactly the same in the two groups. The most common complication was seroma formation with a frequency of 38% in the biological group and 3.8% in the synthetical group (p = .011). A higher frequency of total implant loss could be seen in the biologic mesh group (8.5% vs. 2%), albeit not statistically significant (p = .083).ConclusionsIn the same patient, a synthetic mesh seems to yield a lower risk for serious complications, such as implant loss, than a biological mesh.
Multidisciplinary approach for repeat musculoskeletal lesion biopsy after nondiagnostic initial sampling: A 10‐year single‐center experience
Authors: Abboud Salim , Kosaraju Vijaya , Bhatt Aashish , Egler Rachel , Elliott Robin , Faraji Navid , Mangla Ankit , Mansur David , Rothermel Luke , Saab Shahrazad , Young Peter , Getty Patrick , Kosmas Christos 
Published: October 2020

AbstractBackground and ObjectivesSuccess rates for initial image‐guided biopsy of musculoskeletal (MSK) lesions have been well documented; evidence regarding success rates for repeat biopsy following initially nondiagnostic (ND) image‐guided biopsy of MSK lesions is more limited. This study evaluates the outcomes of repeat computerized tomography‐guided MSK biopsies following ND biopsies using a multidisciplinary approach.Materials and MethodsElectronic medical record search covering a 10‐year period identified patients that received two or more biopsies for an MSK tumor or tumor‐like process. The decision for initial and repeat image‐guided biopsy of each lesion was made following multidisciplinary MSK tumor board review. Lesion location, histopathology results, size of biopsy needle when available, and change in technique between biopsy attempts was documented.ResultsRepeat biopsy rate was 1.6%. 23 patients with repeat MSK biopsy were identified. A total of 17 of 23 (74%) repeat biopsy attempts were diagnostic. A total of 22 of 23 (96%) repeat biopsy attempts were clinically useful. Diagnostic repeat biopsies were described as employing one or more of five technical differences compared to the first biopsy attempt, the most common being improved targeting of the lesion itself.ConclusionsA multidisciplinary approach may yield improved repeat‐biopsy rates and clinical utility of repeat MSK biopsies compared to prior reports.
Analytical tools for urocanic acid determination in human samples: A review
Authors: Lima Fabiana Vieira , Martins Tércio Elyan Azevedo , Morocho‐Jácome Ana Lucia , Almeida Isabel Filipa , Rosado Catarina Fialho , Velasco Maria Valéria Robles , Baby André Rolim 
Published: October 2020

AbstractUrocanic acid is a chromophore found in the skin that has been identified as an important immunosuppressant and carcinogenesis mediator through its photoisomerization from trans to cis form induced by ultraviolet radiation. Research on analytical methods that explore urocanic acid isomerization is indispensable to fully understand the deleterious effects mediated by this biomarker. In this context, the current relevant analytical methods for determination of these isomers in human samples are summarized in this review. The methods presented here are applicable to human samples collected by noninvasive methods (or minimally invasive), encompassing an array of analytical techniques, including high‐performance capillary electrophoresis, confocal Raman spectroscopy, gas chromatography, high‐performance liquid chromatography, and mass spectrometry, among others. Developed high‐performance liquid chromatography methods have proven to be advantageous, allowing noninvasive collections for in vivo analysis and the confocal Raman, specially, for real‐time analysis. Among all these methods, high‐performance liquid chromatography is the most investigated one with mass spectrometry or ultraviolet detector, and the mass spectrometry detector being the most studied in the last years, demonstrating high sensitivity, very low detection limits, and accurate identification, especially for clinical investigations.
Early Treatment Effects of Nonablative Fractional Lasers (NAFL) on Hypertrophic Scars in an Animal Model
Authors: Chung Jae‐Ho , Kim Ki‐Jae , Park Doug John , Ji Yi‐Hwa , Yoon Eul‐Sik , Park Seung‐Ha 
Published: October 2020

Background and ObjectivesRecently, there have been several attempts to apply the laser therapy to hypertrophic scars (HTS). In particular, the fractional laser is in the spotlight for its usefulness in rapid wound healing and dermal remodeling. However, most previous studies have focused on the ablative fractional laser (AFL), and there are no studies on the mechanism of the nonablative fractional laser (NAFL) effect in HTS treatment. In this study, we aimed to evaluate the changes in histology and molecular chemistry to provide scientific evidence for the early treatment of HTS with NAFL.Study Design/Materials and MethodsA total of 40 hypertrophic burn scars were made on the abdomens of two female pigs. After epithelialization, the HTS were randomly subdivided into four groups—control, AFL, NAFL (low energy), and NAFL (high energy). Laser treatment was initiated 1 week after the crust fell and the epithelium became covered, and it was repeated for six sessions over an interval of 2 weeks. Five excisional biopsies were obtained for histologic analysis and biomarker assessment.ResultsHistologically, dermal remodeling with thin coil‐shaped collagen fibers was observed in the NAFL groups. It also showed a significant increase of matrix metalloproteinase‐2 (MMP‐2) and Decorin at 16 weeks in an enzyme‐linked immunosorbent assay. The reverse‐transcription polymerase chain reaction analysis showed a tendency that high‐pulse energy of NAFL led to higher messenger RNA expression than did the low‐energy group.ConclusionThe NAFL‐treated groups showed characteristic collagen re‐arrangement and a significant increase in MMP‐2 and Decorin. These molecular changes suggest that MMP‐2 and Decorin play a significant role in dermal remodeling. Early NAFL treatment for HTS could be supported with both histological and molecular evidence. Lasers Surg. Med. © 2020 Wiley Periodicals, Inc.
HOW TO MAKE TOUGH DECISIONS IN THE MOST UNCERTAIN TIMES
Authors: Rakowich Walt 
Published: October 2020

AbstractThis article discusses the author's experience as the former chief executive officer of the global logistics company Prologis and board member for multiple organizations in healthcare, hospitality, and elsewhere. He relates examples about a common leadership dilemma: making tough decisions during uncertain times, especially what organizations now face in dealing with a global pandemic. He asserts that when leaders create a sense of certainty, in themselves and across their organizations, they allay fears and build trust, which is the most important element of leadership. Without trust, there is no platform from which to build positive influence with others. Further, trust blooms when leaders think less about certainty and focus more on three other C‐words: clarity, confidence, and courage. Various examples are given within each of these topics, and each of the C‐words is amplified by sections such as, within clarity: Establish your nonnegotiables; make space; and collaborate with others. Within confidence: Let down your guard; align your leadership team; and out‐prepare your fears. Within courage: Fill your unknown bucket with faith; look outside your interests; and stay flexible enough to course correct. Clarity, confidence, and courage are intertwined and work together to support leaders when decisions are soaked in ambiguity.
Smart Titanium Coating Composed of Antibiotic Conjugated Peptides as an Infection‐Responsive Antibacterial Agent
Authors: Zhang Yunfei , Hu Kuan , Xing Xuan , Zhang Jingshuang , Zhang Ming‐Rong , Ma Xiaohui , Shi Rui , Zhang Liqun 
Published: October 2020

AbstractAntibacterial coating is rapidly emerging as a pivotal strategy for mitigating spread of bacterial pathogens. However, many challenges still need to be overcome in order to develop a smart coating that can achieve on‐demand antibacterial effects. In this study, a Staphylococcus aureus (S. aureus) sensitive peptide sequence is designed, and an antibiotic is then conjugated with this tailor‐made peptide. The antibiotic‐peptide conjugate is then linked to the surface of a titanium implant, where the peptide can be recognized and cleaved by an enzyme secreted by S. aureus. This allows for the release of antibiotics in the presence of S. aureus, thus achieving delivery of an antibacterial specifically when an infection occurs.
An Experimental and Computational Approach on Controlled Radical Photopolymerization of Limonene
Authors: da Silva Ramon Victor de Castro Alvarelli , Vieira Roniérik Pioli 
Published: October 2020

AbstractLimonene is a potential candidate for the synthesis of polymers from renewable and non‐toxic sources. The synthesis of poly(limonene) via controlled photopolymerization is studied for the first time, both at an experimental and computational level. A kinetic modeling is developed and all unknown parameters are estimated by adjusting them to the experimental data (conversion, molar mass, and dispersity). The reasonable model fit indicates that the proposed mechanism can be considered valid for this process simulation. In that fashion, different reagent ratios are evaluated, as well as simulations for long polymerization times. The experiments provide less than 10% monomer conversion at 40 °C, and short times. However, it is possible to identify a reasonable polymerization control (dispersities <1.5). In a complementary way, the simulations allowed to identify a threshold of reagent ratios in order to maintain the polymerization control for conversions around 20%, and at the same time enable monomer conversions at the same level as traditional thermally‐initiated radical polymerizations at high temperatures. Therefore, this new route can be a promising alternative for the synthesis of limonene‐based polymers.
A One‐Pot Strategy to Synthesize Block Copolyesters from Monomer Mixtures Using a Hydroxy‐Functionized Ionic Liquid
Authors: Song Pengfei , Chen Yalun , Li Yongli , Ma Juping , Wang Liyan , Wang Rongmin 
Published: October 2020

AbstractOne‐pot transformation of monomer mixtures into block copolymers remains a key challenge. Herein, a metal‐free route to prepare block copolymers from monomer mixtures by a hydroxyl functionalized ionic liquid of 3‐(2‐hydroxyl‐ethyl)‐1‐methylimidazolium bromide (HEMIMB) is described. HEMIMB can bridge two catalytic cycles including ring‐opening alternating copolymerization (ROAC) of phthalic anhydride (PA) with epoxides and ring‐opening polymerization (ROP) of L‐lactide (LA), and enable a selective copolymerization from PA, LA, and epoxides. The selective copolymerization depends on the presence of PA in mixed feedstocks, exhibits the first ROAC of PA with epoxides and then ROP of LA to the formation of block polyesters in one‐pot strategy. This work is beneficial to the development of metal‐free catalysts for sequence‐controlled polymerization that enable block architectures from mixtures of monomers.
Influence of Charge Regulation and Charge Heterogeneity on Complexation between Weak Polyelectrolytes and Weak Proteins Near Isoelectric Point
Authors: Samanta Rituparna , Ganesan Venkat 
Published: October 2020

AbstractA combination of constant pH method and single chain in mean field simulations is employed to probe the influence of charge regulation and charge heterogeneities on the bridging characteristics of dissociable polyelectrolytes on globular proteins. By adopting a coarse‐grained representation of proteins as spherical particles, the influence of charge patches on the polyelectrolyte bridging probabilities near protein isoelectric points and in regimes in which the net charge of the protein is the same sign as that of the polyelectrolytes is probed. The results demonstrate that in the presence of dissociable polyelectrolytes, the probability of bridging of proteins capable of charge regulation is higher relative to proteins which are completely dissociated. For homogeneously charged proteins and/or proteins with weak charge heterogeneities, partially dissociated polyelectrolytes are seen to exhibit enhanced bridging characteristics compared to completely dissociated polyelectrolytes. In contrast, for proteins exhibiting strong charge heterogeneities, dissociable polyelectrolytes are seen to exhibit weaker bridging compared to completely dissociated polyelectrolytes.
Bacterial‐like nitric oxide synthase in the haloalkaliphilic archaeon Natronomonas pharaonis
Authors: Orsini Silvia S. , James Kimberly L. , Reyes Destiny J. , Couto‐Rodriguez Ricardo L. , Gulko Miriam K. , Witte Angela , Carroll Ronan K. , Rice Kelly C. 
Published: October 2020

AbstractBacterial nitric oxide (NO) synthases (bNOS) play diverse and important roles in microbial physiology, stress resistance, and virulence. Although bacterial and mammalian NOS enzymes have been well‐characterized, comparatively little is known about the prevalence and function of NOS enzymes in Archaea. Analysis of archaeal genomes revealed that highly conserved bNOS homologs were restricted to members of the Halobacteria. Of these, Natronomonas pharaonis NOS (npNOS) was chosen for further characterization. NO production was confirmed in heterologously expressed His‐tagged npNOS by coupling nitrite production from N‐hydroxy‐L‐arginine in an H2O2‐supported reaction. Additionally, the nos gene was successfully targeted and disrupted to create a Nmn. pharaonis nos mutant by adapting an established Natrialba magadii transformation protocol. Genome re‐sequencing of this mutant revealed an additional frameshift in a putative cation–acetate symporter gene, which could contribute to altered acetate metabolism in the nos mutant. Inactivation of Nmn. pharaonis nos was also associated with several phenotypes congruent with bacterial nos mutants (altered growth, increased oxygen consumption, increased pigment, increased UV susceptibility), suggesting that NOS function may be conserved between bacteria and archaea. These studies are the first to describe genetic inactivation and characterization of a Nmn. pharaonis gene and provides enhanced tools for probing its physiology.