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Squared 2 × 2 tables with binary data from matched pairs are typically analyzed using Cochran-Mantel-Haenszel methodology, conditional logistic regression, or random intercepts logistic regression. These are all "pair-specific" type of approaches. However, many more methods and models for clustered binary data, including marginal models and marginalizable pair-specific models, can be applied. We provide a comprehensive overview of methods and apply them all to two well-known example datasets, the prime minister's performance and the myocardial infarction datasets. The simple setting of matched binary data allows us to compare and relate different models, methods and their estimates. A technical explanation is given for why in some settings boundary estimates are obtained. for this article are available online. [ABSTRACT FROM AUTHOR]

Identifying treatment effect modifiers (i.e., moderators) plays an essential role in improving treatment efficacy when substantial treatment heterogeneity exists. However, studies are often underpowered for detecting treatment effect modifiers, and exploratory analyses that examine one moderator per statistical model often yield spurious interactions. Therefore, in this work, we focus on creating an intuitive and readily implementable framework to facilitate the discovery of treatment effect modifiers and to make treatment recommendations for time-to-event outcomes. To minimize the impact of a misspecified main effect and avoid complex modeling, we construct the framework by matching the treated with the controls and modeling the conditional average treatment effect via regressing the difference in the observed outcomes of a matched pair on the averaged moderators. Inverse-probability-of-censoring weighting is used to handle censored observations. As matching is the foundation of the proposed methods, we explore different matching metrics and recommend the use of Mahalanobis distance when both continuous and categorical moderators are present. After matching, the proposed framework can be flexibly combined with popular variable selection and prediction methods such as linear regression, least absolute shrinkage and selection operator (Lasso), and random forest to create different combinations of potential moderators. The optimal combination is determined by the out-of-bag prediction error and the area under the receiver operating characteristic curve in making correct treatment recommendations. We compare the performance of various combined moderators through extensive simulations and the analysis of real trial data. Our approach can be easily implemented using existing R packages, resulting in a straightforward optimal combined moderator to make treatment recommendations. [ABSTRACT FROM AUTHOR]

In this paper, we devote to extending structures for dendriform algebras. First, we define extending datums and unified products of dendriform algebras, and theoretically solve the extending structure problem. As an application, we consider flag datums as a special case of extending structures, and give an example of the extending structure problem. Second, we apply matched pairs and bicrossed products of dendriform algebras and theoretically solve the factorization problem for dendriform algebras. Moreover, we also introduce cocycle semidirect products and nonabelian semidirect products as special cases of unified products. Finally, we define the deformation map on a dendriform extending structure (more general case), not necessary a matched pair, which is more practical in the classifying complements problem. [ABSTRACT FROM AUTHOR]

Motivated by recent work on compatible mock-Lie algebras such that any linear combination of the two mock-Lie structures is a mock-Lie structure, in this paper we introduce compatible mock-Lie bialgebras as an analogue of compatible Lie bialgebras. They can also be regarded as a "compatible version" of mock-Lie bialgebras. Constructions of compatible mock-Lie bialgebras are presented via Manin triples and matched pairs. [ABSTRACT FROM AUTHOR]

Vulvar squamous cell carcinoma (VSCC) can be stratified into three molecular subtypes based on the immunoexpression of p16 and p53: HPV-independent p53-abnormal (p53abn) (most common, biologically aggressive), HPV-associated, with p16-overexpression (second most common, prognostically more favourable) and more recently recognised HPV-independent p53-wildtype (p53wt) (rarest subtype, prognostically intermediate). Our aim was to determine whether molecular subtypes can be reliably identified in pre-operative biopsies and whether these correspond to the subsequent vulvectomy specimen. Matched-paired pre-surgical biopsies and subsequent resection specimen of 57 patients with VSCC were analysed for the immunohistochemical expression of p16 and p53 by performing a three-tiered molecular subtyping to test the accuracy rate. Most cases 36/57 (63.2%) belonged to the HPV-independent (p53-abn) molecular subtype, followed by HPV-associated 17/57 (29.8%) and HPV-independent (p53wt) 4/57 (7.0%). The overall accuracy rate on biopsy was 91.2% (52/57): 97.3% for p53-abnormal, 94.1% for p16-overexpression and 50% for p16-neg/p53-wt VSCC. Incorrect interpretation of immunohistochemical p53 staining pattern was the reason for discordant results in molecular subtyping in all five cases. In one case there was an underestimation of p53 pattern (wildtype instead of abnormal/aberrant) and in one case an overestimation of the p53 staining pattern (abnormal/aberrant instead of wildtype). In 3/5 there was a "double positive" staining result (p16 overexpression and abnormal/aberrant p53 staining pattern). In that cases additional molecular workup is required for correct molecular subtyping, resulting in an overall need for molecular examination of 3/57 (3.5%). Compared to the final resections specimen, the three-tiered molecular classification of VSCC can be determined on pre-surgical biopsies with a high accuracy rate. This enables more precise surgical planning, prediction of the response to (chemo) radiation, selection of targeted therapies and planning of the optimal follow-up strategy for patients in the age of personalised medicine. • Vulvar squamous cell carcinoma (VSCC) can be categorised into three molecular subtypes based on p53 and p16 immunoexpression. • Subtypes: HPV-independent p53-abnormal (63.2%), followed by HPV-associated (29.8%) and HPV-independent/ p53wt (7.0%). • Overall accuracy rate of molecular subtype, determined on biopsy compared to surgical resection specimen was 91.2%. • Incorrect interpretation of p53 immunostaining pattern was the reason for discordant results in molecular subtyping. • Molecular subtypes can be reliably identified in preoperative biopsies and correspond to the subsequent vulvectomy specimen. [ABSTRACT FROM AUTHOR]

The aim of this paper is to introduce the notion of Rota–Baxter mock-Lie bialgebras (A , ∘ , δ , K , Q) and their admissibility conditions in terms of dual representations (ρ ∗ , β ∗ , V ∗). Next, we show that Rota–Baxter mock-Lie bialgebras are characterized by matched pairs and Manin triples of Rota–Baxter mock-Lie algebras. Furthermore, the coboundary case leads to the introduction of the admissible mock-Lie Yang–Baxter equation in Rota–Baxter mock-Lie algebras, whose skew-symmetric solutions are used to construct Rota–Baxter mock-Lie bialgebras. [ABSTRACT FROM AUTHOR]

In this paper, first, we introduce the notion of post-Hopf algebra, which gives rise to a post-Lie algebra on the space of primitive elements and the fact that there is naturally a post-Hopf algebra structure on the universal enveloping algebra of a post-Lie algebra. A novel property is that a cocommutative post-Hopf algebra gives rise to a generalized Grossman-Larson product, which leads to a subadjacent Hopf algebra and can be used to construct solutions to the Yang-Baxter equation. Then, we introduce the notion of relative Rota-Baxter operator on Hopf algebras. A cocommutative post-Hopf algebra gives rise to a relative Rota-Baxter operator on its subadjacent Hopf algebra. Conversely, a relative Rota-Baxter operator also induces a post-Hopf algebra. Finally, we show that relative Rota-Baxter operators give rise to matched pairs of Hopf algebras. Consequently, post-Hopf algebras and relative Rota-Baxter operators give solutions to the Yang-Baxter equation in certain cocommutative Hopf algebras. [ABSTRACT FROM AUTHOR]

The aim of this paper is to study cohomological theory of Lie triple systems with derivations. We introduce the notion of a LtsDer pair and its representation. We also introduce the matched pair of LtsDer pairs. Moreover, we characterize the relation between the cohomologies of a LtsDer pair and its associated LeibDer pair. The deformation and -operator of LtsDer pairs are also discussed. We show that the representation of the given LtsDer pair becomes a new LtsDer pair and the former LtsDer pair becomes the representation of the new LtsDer pair, naturally to investigate cohomologies of the new LtsDer pair. Finally, we consider abelian extensions of LtsDer pairs. [ABSTRACT FROM AUTHOR]

In this paper, we develop an estimation and testing procedure for comparing matched-pair ordinal outcomes in studies with confounding factors. The classification method for the categories of ordinal outcomes that is accessible for all units may be prone to mis-classification, and thus another error-free classification method that can only be affordable for a fraction of the units are used, resulting in a dataset with partial validation. The distribution of categorical variables is modelled using correlated bivariate Gaussian latent variables, and the confounding factors are adjusted as covariates. The mis-classification of ordinal outcomes is addressed by estimating the mis-classification probabilities through the partial validation structure of the dataset. The mis-classification probabilities and the other parameters are estimated by a two-stage maximum likelihood estimator, and the difference between the matched-pair ordinal outcomes are assessed by a Wald test statistic. Simulation studies were conducted to investigate the accuracy of the estimates of the model parameters, and the type I error rates and power of the proposed testing procedure. The motivating dataset from the Garki Project was analysed to demonstrate the applicability of the proposed approach. [ABSTRACT FROM AUTHOR]

A left-Alia algebra is a vector space together with a bilinear map satisfying the symmetric Jacobi identity. Motivated by invariant theory, we first construct a class of left-Alia algebras induced by twisted derivations. Then, we introduce the notions of Manin triples and bialgebras of left-Alia algebras. Via specific matched pairs of left-Alia algebras, we figure out the equivalence between Manin triples and bialgebras of left-Alia algebras. [ABSTRACT FROM AUTHOR]

The aim of this paper is to introduce the notion of a mock- Lie bialgebra which is equivalent to a Manin triple of mock-Lie algebras. The study of a special case called coboundary mock-Lie bialgebra leads to introducing the mock-Lie Yang{Baxter equation on a mock-Lie algebra which is an analogue of the classical Yang{Baxter equation on a Lie algebra. Note that a skew-symmetric solution of mock-Lie Yang{Baxter equation gives a mock-Lie bialgebra. Finally, O-operators are studied to construct a skew-symmetric solution of a mock-Lie Yang{Baxter equation. [ABSTRACT FROM AUTHOR]

A left-Alia algebra is a vector space together with a bilinear map satisfying the symmetric Jacobi identity. Motivated by invariant theory, we first construct a class of left-Alia algebras induced by twisted derivations. Then, we introduce the notions of Manin triples and bialgebras of left-Alia algebras. Via specific matched pairs of left-Alia algebras, we figure out the equivalence between Manin triples and bialgebras of left-Alia algebras.

Background: We hypothesized the risk of prosthetic instability would be similar in patients treated for femoral neck fracture (FNF) comparatively to patients treated for osteoarthritis (OA) using a dual-mobility cup—total hip arthroplasty (DMC-THA). Methods: One hundred and nine patients (109 hips), with a mean age of 69.6 ± 3 years (65–75 years), underwent DMC-THA using a posterolateral approach for a FNF (study group). Patients were matched for age and sex with 109 OA patients treated by the same procedure (control). Results: Postoperatively, there were four dislocations of the large articulation in the study group, and none in the control (p = 0.12). Periprosthetic joint infection (PJI) was the most common surgical complication and was more frequent in the study group. Postoperatively, functional results were at least good in > 90% patients in both groups. At the last follow-up, patients in the study group had recovered autonomy and physical activity comparable to those of the preoperative period. Conclusion: We found no increased risk of dislocation after DMC-THA using a posterolateral approach for FNF as compared to the same procedure for OA. In this study, function and independence were restored postoperatively in the vast majority of patients. DMC-THA appears as a viable therapeutic option in autonomous patients with a displaced FNF. [ABSTRACT FROM AUTHOR]

Immunoassays employed to measure C-peptide in rat serum neither have high sensitivity nor good range. Hence, the aim of this work was to develop a sensitive and specific user friendly immunoradiometric assay (IRMA) utilizing in-house magnetizable cellulose particles for quantification of C-peptide in rat serum. For development of IRMA, detector antibody (M1*) was prepared by chloramine-T method using 125I and capture antibody (SM2) was prepared by carbonyldiimidazole (CDI) activation method. The matched pair M1*-SM2 yielded an assay with adequate sensitivity (0.24 ng/ml) and range (0–20 ng/ml). C-peptide concentrations in rat serum samples (n = 30) analyzed using the developed assay ranged between 0.3 and 0.54 ng/ml. The reported C-peptide range can be used as a reference in impending diabetic research carried out using rat models. [ABSTRACT FROM AUTHOR]

Background: Labelled with lutetium-177, the urea-based small molecules PSMA I&T and PSMA-617 are the two agents most frequently used for radioligand therapy (RLT) in patients with advanced metastatic castration-resistant and prostate-specific membrane antigen (PSMA) expressing prostate cancer (mCRPC). In this matched-pair analysis, we aimed to compare the toxicity and efficacy of both agents for PSMA-directed RLT. Materials and methods: A total of 110 mCRPC patients from two centres were accrued, 55 individuals treated with [177Lu]Lu-PSMA I&T, and a matched cohort of 55 patients treated with [177Lu]Lu-PSMA-617. Matching criteria included age at the first cycle, Gleason score, prostate-specific antigen (PSA) values, and previous taxane-based chemotherapy. Using common terminology criteria for adverse events (CTCAE v. 5.0), toxicity profiles were investigated (including bone marrow and renal toxicity). Overall survival (OS) between both groups was compared. Results: Toxicity assessment revealed grade III anaemia in a single patient (1.8%) for [177Lu]Lu-PSMA I&T and five (9.1%) for [177Lu]Lu-PSMA-617. In addition, one (1.9%) grade III thrombopenia for [177Lu]Lu-PSMA-617 was recorded. Apart from that, no other grade III/IV toxicities were present. A median OS of 12 months for patients treated with [177Lu]Lu-PSMA I&T did not differ significantly when compared to patients treated with [177Lu]Lu-PSMA-617 (median OS, 13 months; P = 0.89). Conclusion: In this matched-pair analysis of patients receiving one of the two agents most frequently applied for PSMA RLT, the rate of clinically relevant toxicities was low for both compounds. In addition, no relevant differences for OS were observed. [ABSTRACT FROM AUTHOR]

In this paper, we first introduce the notion of a 3-Hom–Lie bialgebra and give an equivalent description of the 3-Hom–Lie bialgebras, the matched pairs and the Manin triples of 3-Hom–Lie algebras. In addition, we define O -operators of 3-Hom–Lie algebras and construct solutions of the 3-Hom–Lie Yang–Baxter equation in terms of O -operators and 3-Hom–pre-Lie algebras. Finally, we show that a 3-Hom–Lie algebra has a phase space if and only if it is sub-adjacent to a 3-Hom–pre-Lie algebra. [ABSTRACT FROM AUTHOR]

IntroductionPreoperative mapping of motor areas with navigated transcranial magnetic stimulation (nTMS) has been shown to improve surgical outcomes for peri-Rolandic lesions and, in particular, for gliomas. However, the impact of this technique on surgical outcomes for peri-Rolandic metastatic lesions is yet unknown.ObjectiveTo investigate the impact of nTMS on surgical outcomes for peri-Rolandic metastatic lesions, various clinical parameters were analyzed in our international study group.MethodsTwo prospectively enrolled cohorts were compared by investigating patients receiving preoperative nTMS (2010-2015; 120 patients) and patients who did not receive preoperative nTMS (2006-2015; 130 patients). Tumor location, pathology, size, and preoperative deficits were comparable.ResultsThe nTMS group showed a lower rate of residual tumor on postoperative magnetic resonance imaging (odds ratio 0.3025; 95% confidence interval 0.1356-0.6749). On long-term follow-up, surgery-related paresis was decreased in the nTMS group (nTMS vs. non-nTMS; improved: 30.8 vs. 13.1%, unchanged: 65.8 vs. 73.8%, worse: 3.4 vs. 13.1% of patients; p = 0.0002). Moreover, the nTMS group received smaller craniotomies (nTMS: 16.7 ± 8.6 cm2 vs. non-nTMS: 25.0 ± 17.1 cm2; p

Objective:To show our retrograde intrarenal surgery (RIRS) experience in anomalous kidney stones and compare its safety and efficiency with normal kidney stones.Materials and Methods:Between 2012 and 2018, patient data was reviewed retrospectively and 1700 procedures were taken into consideration. Forty-seven anomalous kidney stones were included in the study (group A). In these patients, 18 had calyx diverticulum, 12 had horseshoe kidney, 8 had ureteral duplication, 2 had ectopic kidneys, 1 had malrotation, and 1 had bifid pelvis. After making a matched pair analysis, 47 normal kidney stones with similar demographic and stone characteristics were included in our study (group N). Demographic, stone, intraoperative and postoperative data were recorded. We compared these groups regarding efficiency and safety.Results:Average scope time, hospitalization time, and postoperative double J-stent rate were higher in group A. The difference was statistically insignificant (p>0.05). Ureteral access sheath usage was higher in group N, though the difference was statistically insignificant (p=0.63). Stone-free rates and success rates were higher in group N though the difference was not statistically significant (p>0.05). The rate of complications was statistically significantly higher in group A (p=0.02).Conclusion:RIRS can be used in the management of anomalous kidney stones. It is an efficient and safe method. Prospective and larger patient numbered studies are needed.

Complex surgery of abdominal wall hernia continues to bear the major concern of wound healing disorders. Technical modifications have not been able to sufficiently prevent wound healing impairments or infections, even in clean elective cases, especially when dealing with large‐scale hernia defects. Incisional negative pressure wound therapy (iNPWT) in its intentional use as a preventive tool has recently found its way from theoretical and experimental advantages to the clinical routine. Different indications have been defined but evidence is lacking. We performed a retrospective analysis (1/2014–5/2019) of all ventral hernia repairs (n = 386) done in our institution as open sublay mesh reinforcement, partially requiring component separation (CS), receiving iNPWT in selected cases based on single surgeon experience. Pre‐ and perioperative data included patient and hernia characteristics as well as the employed mesh sizes. Postoperative follow‐up (median 38.5 months [interquartile range: 23.4, 53.3]) extended beyond patient dismissal and included the rate of re‐admission due to wound healing disorders. The primary outcome was the incidence of surgical site occurrences (SSO). Secondary endpoints included wound‐related readmissions, reoperations and recurrences. Patients were matched based on propensity scores in a 1:1 ratio. Propensity scores were calculated based on five preoperative variables, including sex, body‐mass‐index, American Society of Anesthesiology classification, recurrent hernia repair and operation technique, to identify significant parameters. The rate of SSO was 12% (n = 46) for all operated cases, and the rate of surgical site infection (SSI) was 8.8% (n = 34). In the subgroup of CS (n = 40), the rate increased to 15% (n = 6). The usage of iNPWT (n = 54) led to an in‐hospital SSO rate of 14.8% (n = 8) but increased to 33.3% (n = 18) when including the re‐admission rate. The SSI rate for the iNPWT cohort was 14.8% (n = 8) with a consecutive need for reoperation (Clavien‐Dindo IIIb) in 87.5% (n = 7). In the matched‐pair analysis, the hernia‐size and mesh‐size were the main risk factors for SSO. The use of iNPWT significantly reduced this statistical effect (p = 0.405). In a large and representative patient cohort, we were able to demonstrate that the advantage of iNPWT used after complex abdominal wall repair does not come first hand. Especially in the follow‐up, we found a relevant increase in wound healing problems after dismissal. To proof the benefit of iNPWT in these heterogeneous patients, we could identify hernia size and mesh size as individual risk factors that were nihilated by the use of iNPWT. We found it to be favourable to use iNPWT when mesh‐size exceeded 450 cm2. [ABSTRACT FROM AUTHOR]

Purpose: Single-incision laparoscopic surgery (SILS) has been introduced as a less invasive alternative to multi-port laparoscopic surgery (MLS). MLS is widely accepted for the treatment of colorectal cancer, but there remains minimal evidence for the use of SILS. Thus, we compared both short- and long-term outcomes of SILS and open surgery (OS) in matched cohorts of colorectal cancer patients. Methods: Some 910 patients had colorectal resections for cancer between 2006 and 2013, and 134 of them were operated on using SILS. Eighty of these SILS patients were compared to a cohort of patients who had open surgery that were matching in tumour stage and location, type of resection, sex, age and ASA Score. Disease-free survival at 5 years (5y-DFS) was the primary endpoint; morbidity and hospitalization were secondary parameters. The role of surgical training in SILS was also investigated. Results: Clavien Dindo ≥ IIIb complications occurred in 13.8% in both groups. 5y-DSF were 82% after SILS and 70% after OS (p = 0.11). Local recurrence after rectal cancer tended to be lower after SILS (0/43 (SILS) vs. 4/35 (OS), p = 0.117). Length of stay was significantly shorter after SILS (10 vs. 14 days, p = 0.0004). The rate of operations performed by surgical residents was equivalent in both groups (44/80 (SILS) vs. 46/80 (OS), p = 0.75). Conclusion: The data demonstrates that SILS results in similar long-term oncological outcomes when compared to open surgery as well as morbidity rates. The hospital stay in the SILS group was shorter. SILS can also be incorporated in surgical training programmes. [ABSTRACT FROM AUTHOR]

Stål Bjørkly,1,2 Jon Magnus Wærstad,1 Lars Erik Selmer,1 Johnny Wærp,1 Martin Bjørnstad,1 John Vegard Leinslie,1 Gunnar Eidhammer,1 Kevin S Douglas1,3,41Centre for Research and Education in Forensic Psychiatry, Oslo University Hospital-HF, Oslo N-0320, Norway; 2Faculty of Health and Social Sciences, Molde University College, Molde N-6402, Norway; 3Department of Psychology, Simon Fraser University, Burnaby V5A 1S6, BC, Canada; 4Centre for Research and Education in Forensic Psychiatry, Bergen Health Trust, Bergen 5021, NorwayCorrespondence: Stål BjørklyCentre for Research and Education in Forensic Psychiatry, Oslo University Hospital-HF, PO Box 2110, Molde 6402, NorwayTel +47 4 784 9800Fax +47 7 121 4100Email stal.bjorkly@himolde.noObjective: This paper reports on a prospective naturalistic study of violent recidivism after discharge from forensic mental health. Main aims were to find predictors of violence and to test the feasibility of a matched pair design for this purpose.Methods: Patients from the Safe pilot project (n=18) and a group of controls (n=18) were matched on 10 variables, such as diagnosis, seriousness of violence, setting after discharge, and risk management plans. All the Safe pilot patients had been through repeated measurement of dynamic risk factors of violence the year before discharge to develop efficient risk management plans for use after discharge. We wanted to test whether violent recidivism during follow-up would be lower and less serious in the Safe pilot group.Results: We found no significant between-group difference concerning number of patients with violent recidivism. However, the Safe pilot patients had significantly lower rates of violence and fewer severe violent episodes. In the control group, there was a significant association between a high number of risk management plans and high rates of violence. There was a statistical trend for the opposite association in the Safe pilot group.Conclusion: We discuss this in terms of a possible gap between the development and implementation of plans.Keywords: forensic mental health, discharge, violence, matched pair

In this paper, we first introduce the notion of a 3-Hom–Lie bialgebra and give an equivalent description of the 3-Hom–Lie bialgebras, the matched pairs and the Manin triples of 3-Hom–Lie algebras. In addition, we define O-operators of 3-Hom–Lie algebras and construct solutions of the 3-Hom–Lie Yang–Baxter equation in terms of O-operators and 3-Hom–pre-Lie algebras. Finally, we show that a 3-Hom–Lie algebra has a phase space if and only if it is sub-adjacent to a 3-Hom–pre-Lie algebra.

Objective: To show our retrograde intrarenal surgery (RIRS) experience in anomalous kidney stones and compare its safety and efficiency with normal kidney stones. Materials and Methods: Between 2012 and 2018, patient data was reviewed retrospectively and 1700 procedures were taken into consideration. Forty-seven anomalous kidney stones were included in the study (group A). In these patients, 18 had calyx diverticulum, 12 had horseshoe kidney, 8 had ureteral duplication, 2 had ectopic kidneys, 1 had malrotation, and 1 had bifid pelvis. After making a matched pair analysis, 47 normal kidney stones with similar demographic and stone characteristics were included in our study (group N). Demographic, stone, intraoperative and postoperative data were recorded. We compared these groups regarding efficiency and safety. Results: Average scope time, hospitalization time, and postoperative double J-stent rate were higher in group A. The difference was statistically insignificant (p>0.05). Ureteral access sheath usage was higher in group N, though the difference was statistically insignificant (p=0.63). Stonefree rates and success rates were higher in group N though the difference was not statistically significant (p>0.05). The rate of complications was statistically significantly higher in group A (p=0.02). Conclusion: RIRS can be used in the management of anomalous kidney stones. It is an efficient and safe method. Prospective and larger patient numbered studies are needed. [ABSTRACT FROM AUTHOR]

Optimization in medicinal chemistry often involves designing replacements for a section of a molecule which aim to retain potency while improving other properties of the compound. In this study, we perform a retrospective analysis using a number of computational methods to identify active side chains amongst a pool of random decoy side chains, mimicking a similar procedure that might be undertaken in a real medicinal chemistry project. We constructed a dataset derived from public ChEMBL and PDB data by identifying all ChEMBL assays where at least one of the compounds tested has also been co-crystallized in the PDB. Additionally, we required that there be at least ten active compounds tested in the same ChEMBL assay that are matched molecular pairs to the crystallized ligand. Using the compiled dataset consisting of sets of compounds from 402 assays, we have tested a number of methods for scoring side chains including Spark, a bioisostere replacement tool from Cresset, molecular docking using Glide from Schrodinger, docking with Smina, as well as other methods. In this work, we present a comparison of the performance of these methods in discriminating active side chains from decoys as well as recommendations for circumstances when different methods should be used. [ABSTRACT FROM AUTHOR]

Motivated by the essential connection between Lie bialgebras and Manin triples, we introduce the notion of a Hom-Lie bialgebra with emphasis on its compatibility with a Manin triple of Hom-Lie algebras associated to a nondegenerate symmetric bilinear form. Then coboundary Hom-Lie bialgebras can be studied without a skew-symmetric condition of r ∈ g ⊗ g , naturally leading to the classical Hom-Yang-Baxter equation whose solutions are used to construct coboundary Hom-Lie bialgebras, in particular on the double space of a Hom-Lie bialgebra. We also derive solutions of the classical Hom-Yang-Baxter equation from O -operators and Hom-left-symmetric algebras. [ABSTRACT FROM AUTHOR]

Purpose: The purpose of this study was to determine if there are significant side-to-side anthropometric differences between paired glenoids.Methods: Forty-six matched-pair cadaver glenoids were harvested, and their glenoid heights (GHs) and glenoid widths (GWs) were measured with digital calipers. The glenoid surface area was calculated using the standard assumption that the inferior two-thirds of the glenoid is a perfect circle.Results: There was a statistically significant difference between matched-pair GHs of 0.96 ± 3.07 mm (P = .020) and GWs of 0.46 ± 1.64 mm (P = .033). There was a significant difference of glenoid cavity area of 20.30 ± 81.53 mm2 (P = .044), or a difference of ∼3%. A total of 4 of 46 pairs of glenoids (8.6%) showed a difference in width >3 mm.Conclusions: This study demonstrates the fallacy of use of the contralateral glenoid in measuring glenoid bone loss. Although many paired samples exhibited similar side-to-side glenoid measurements, the number of cadaveric pairs that showed differences of >3 mm was substantial. Caution should be taken when using calculation methods that include this assumption for surgical decision making, as surface area, GW, and GH were all shown to have statistically significant side-to-side differences in their measurements.Clinical Relevance: Many methods exist for measuring glenoid bone loss after anterior shoulder dislocation, but some of the current methods may be inaccurate and lead to unreliable estimations. [ABSTRACT FROM AUTHOR]

The traceless Staudinger ligation with its two variants is a powerful biorthogonal conjugation method not only for the connection of biomolecules, but also for the introduction of fluorescence- or radiolabels under mild reaction conditions. Herein, the strategic evaluation of the traceless Staudinger ligation for radiolabeling 99mTc using the fac-[Tc(CO)3]+ core is presented. A convenient and high-yielding three-step synthetic procedure of dipicolylamine-based phosphanols as ligands for the mild radiolabeling was developed. The labeling was accomplished using a tricarbonyl kit and a 99mTc-pertechnetate generator eluate showing 87% radiochemical conversion. The respective rhenium-based, non-radioactive reference compounds were synthesized using (Et4N)2[Re(CO)3Br3] as precursor. All products were analyzed by NMR, MS, and elemental analysis. Additional XRD analyses were performed.

Abstract An algebraic theory of non-involutive set-theoretic solutions to the Yang–Baxter equation by means of a non-commutative version of braces is established. The structure group and the permutation group of a solution is put into a context of discrete Lie theory. This leads to a natural concept of covering which shares the good properties of coverings in geometry and topology. In the special case of quandle coverings in knot theory, known anomalies are removed. [ABSTRACT FROM AUTHOR]

The purpose of this paper is to generalize to -graded case the study of Hom-Lie bialgebras which were discussed first by D. Yau, then by Y. Sheng and C. Bai. We first provide various constructions of Hom-Lie superbialgebras and a classification of 3-dimensional Hom-Lie superbialgebras with 2-dimensional even part. Moreover, we study coboundary and triangular Hom-Lie superbialgebras, as well as infinitesimal deformations of the cobracket. Furthermore, following Sheng and Bai we define matched pairs, Manin supertriples and discuss their relationships. [ABSTRACT FROM AUTHOR]

Three years of hourly traffic collision data and associated weather data for the city of Edmonton, Alberta, Canada, were analyzed. Using a matched-pair analysis to compare periods of adverse weather with similar periods without adverse weather, the effect of weather on traffic collisions in Edmonton was assessed. Adverse weather took the form of strong winds (>35 km h−1), precipitation (>0.10 mm h−1), or limited visibility (<1.0 km). Risk ratio (RR) values were calculated to determine the relative increase in accidents resulting from each type of weather, as well as for multiple types of concurrent weather. Analysis was performed for collisions that resulted in property damage only (PDO) and severe collisions that resulted in injuries. To determine whether specific types of collisions were more likely to occur during adverse weather, RR values were determined for multiple types of collisions, such as following too closely or failing to stop at a traffic signal. Our results show that adverse weather affects traffic collisions in a variety of ways. Horizontal visibility less than 200 m and strong winds above 45 km h−1, while relatively infrequent in Edmonton, typically resulted in an increase in overall collisions (RR = 3.40 and 1.17, respectively). Precipitation, which is far more common to Edmonton, posed an increased risk to drivers. The type of precipitation was also clearly a factor. The RR value for PDO collisions was higher during periods of snowfall (1.90) than during periods of rainfall (1.28), but the RR value for collisions resulting in injuries (1.37) was higher than the value for PDO collisions during periods of rainfall. Collisions during snowfall had a higher RR value (1.90) for PDO collisions than for collisions resulting in injuries (1.55), and both were higher than the RR values for either type of collision during rainfall, suggesting that snowfall is a greater threat to driving safety than rainfall. For both precipitation types, a higher rate of precipitation was associated with increased risk and a larger number of collisions. Some collision types were clearly affected by the type of precipitation. Vehicles left the road resulting in property damage at far higher RR values during snowfall (3.36) than during periods of rainfall (1.09). Furthermore, analysis of collision types identify that two collisions with nearly identical actions, stopping at a stop sign and stopping at a traffic signal, have very different risks during adverse weather. Stopping at stop signs appears to be far more difficult than stopping at traffic signals during precipitation events and has a higher associated risk. Lastly, we identify a puzzling concern: our results show that Edmonton drivers do not perceive periods of rainfall as presenting a hazard, resulting in a disproportionately high number of injuries during rainfall. [ABSTRACT FROM AUTHOR]

Objective: To evaluate the modifications and feasibility of radical videoscopic inguinal lymphadenectomy (VIL). Patients and Methods: From January 2010 to December 2017, more than 200 patients who have underwent bilateral radical inguinal lymphadenectomy for penile cancer in Sun Yat-Sen University Cancer Center. And there were 33 patients who received radical VIL and 174 patients who received open inguinal lymphadenectomy (OIL). According to similar factors of age, body mass index, T stage, and N stage, two matched groups were created with a rate of 1:2, one group received VIL, and another group received OIL. The numbers of harvested lymph nodes, operating times, and complications were compared between the two groups. Descriptive statistical analyses, t tests, chi-square tests, and rank sum tests were performed. Results: In total, 93 patients were selected, including 31 patients who underwent bilateral VIL and 62 who underwent OIL. The numbers of harvested lymph nodes did not differ significantly (p = 0.983), the operating time was longer for the VIL than the open lymphadenectomy (p < 0.01), and the morbidity was lower among the VIL than the open lymphadenectomy. Conclusions: Modified radical VIL is feasible, practical, and results in reduced morbidity. The dissecting field and the defined plane were critical to these modifications. [ABSTRACT FROM AUTHOR]

In this paper, we introduce the notion of a generalized derivation on a 3-Lie algebra. We construct a new 3-Lie algebra using a generalized derivation and call it the generalized derivation extension. We show that the corresponding Leibniz algebra on the space of fundamental objects is the double of a matched pair of Leibniz algebras. We also determine the corresponding Nambu–Poisson structures under some conditions. [ABSTRACT FROM AUTHOR]