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Despite great progress in the construction of non‐equilibrium systems, most approaches do not consider the structure of the fuel as a critical element to control the processes. Herein, we show that the amino acid side chains (A, F, Nal) in the structure of abiotic phosphates can direct assembly and reactivity during transient structure formation. The fuels bind covalently to substrates and subsequently influence the structures in the assembly process. We focus on the ways in which the phosphate esters guide structure formation and how structures and reactivity cross regulate when constructing assemblies. Through the chemical functionalization of energy‐rich aminoacyl phosphate esters, we are able to control the yield of esters and thioesters upon adding dipeptides containing tyrosine or cysteine residues. The structural elements around the phosphate esters guide the lifetime of the structures formed and their supramolecular assemblies. These properties can be further influenced by the peptide sequence of substrates, incorporating anionic, aliphatic and aromatic residues. Furthermore, we illustrate that oligomerization of esters can be initiated from a single aminoacyl phosphate ester incorporating a tyrosine residue (Y). These findings suggest that activated amino acids with varying reactivity and energy contents can pave the way for designing and fabricating structured fuels. [ABSTRACT FROM AUTHOR]

Cu alkyne‐azide cycloaddition was used to easily synthesize a library of novel heterocycles containing benzimidazole and piperidine based 1,2,3‐triazole(7a–7l) derivatives. The synthesized analogs were characterized by various spectroscopic techniques like FTIR, 1H nuclear magnetic resonance (NMR), 13C NMR, and mass spectrometry. All these novel bioactive compounds (7a–7l) were evaluated for in vitro antibacterial and antifungal efficacy. Compound 7k exhibited appreciable potent activity against Escherichia coli strain. Compounds 7a, 7b, 7f, and 7i showed excellent potent activity against all bacterial strains. Compound 7b, 7c, 7d, and 7g derivatives showed excellent effects when tested in vitro for antifungal activity against various fungal strains. Additionally, a molecular docking investigation revealed that compound 7k has the ability to bind to the active site of the E. coli DNA gyrase subunit protein and form hydrogen bonds with significant amino acid residues Asp73 and Asp49 in the active sites. In a 100 ns molecular dynamics simulation, the E. coli DNA gyrase protein's steady capacity to bind compound 7k was shown by the low measured root mean square deviation, which was an indication of the complex's conformational stability. [ABSTRACT FROM AUTHOR]

A direct spectra‐to‐spectra method is developed for generating floor response spectra (FRS) for structures under earthquake excitations at multiple supports in terms of ground response spectra (GRS). Only GRS, "t‐response spectra" (tRS), and basic modal information of primary structures, which can be readily obtained from modal analyses, are needed. FRS are separated into dynamic part and quasi‐static part, which are combined by a new combination rule FRSMS‐CQC developed using random vibration theory. FRSMS‐CQC can account for the correlations between various components affecting FRS, that is, the correlation between the responses of oscillators excited by any two vibration modes, the correlation between the response of an oscillator excited by a vibration mode and the response of an oscillator mounted directly on a support, and the correlation between the responses of oscillators mounted on two different supports. In particular, two special cases, that is, excitations in the same direction at two supports being fully correlated and excitations at two supports being uncorrelated, are considered. The direct method can also be applied to generate tertiary response spectra (TRS) from FRS at multiple supports of secondary structures. Numerical example of a piping system mounted on different buildings, which are subjected to tridirectional seismic excitations at the foundation level, is presented to demonstrate the superiority of the proposed method. It is shown that FRS/TRS determined by time‐history (TH) analysis have large variabilities, particularly at FRS/TRS peaks. The proposed direct method, which avoids the deficiencies of time history methods, is of excellent accuracy, efficiency, and simplicity. [ABSTRACT FROM AUTHOR]

Here, we report a bienzymatic cascade to produce β‐amino acids as an intermediate for the synthesis of the leading oral antidiabetic drug, sitagliptin. A whole‐cell biotransformation using recombinant Escherichia coli coexpressing a esterase and transaminase were developed, wherein the desired expression level of each enzyme was achieved by promotor engineering. The small‐scale reactions (30 ml) performed under optimized conditions at varying amounts of substrate (100–300 mM) resulted in excellent conversions of 82%–95% for the desired product. Finally, a kilogram‐scale enzymatic reaction (250 mM substrate, 220 L) was carried out to produce β‐amino acid (229 mM). Sitagliptin phosphate was chemically synthesized from β‐amino acids with 82% yield and > 99% purity. [ABSTRACT FROM AUTHOR]

We report a highly atom‐efficient integrated cofactor/co‐product recycling cascade employing cycloalkylamines as multifaceted starting materials for the synthesis of nylon building blocks. Reactions using E. coli whole cells as well as purified enzymes produced excellent conversions ranging from >80 and 95 % into desired ω‐amino acids, respectively with varying substrate concentrations. The applicability of this tandem biocatalytic cascade was demonstrated to produce the corresponding lactams by employing engineered biocatalysts. For instance, ϵ‐caprolactam, a valuable polymer building block was synthesized with 75 % conversion from 10 mM cyclohexylamine by employing whole‐cell biocatalysts. This cascade could be an alternative for bio‐based production of ω‐amino acids and corresponding lactam compounds. [ABSTRACT FROM AUTHOR]

A one‐pot deracemization strategy for α‐chiral amines is reported involving an enantioselective deamination to the corresponding ketone followed by a stereoselective amination by enantiocomplementary biocatalysts. Notably, this cascade employing a ω‐transaminase and amine dehydrogenase enabled the access to both (R)‐and (S)‐amine products, just by controlling the directions of the reactions catalyzed by them. A wide range of (R)‐and (S)‐amines was obtained with excellent conversions (>80 %) and enantiomeric excess (>99 % ee). Finally, preparative scale syntheses led to obtain enantiopure (R)‐ and (S)‐13 with the isolated yields of 53 and 75 %, respectively. Make a choice, make it right: Novel one‐pot deracemization cascade, employing amine dehydrogenase and ω‐transaminase, is reported for the synthesis of enantiopure amines with excellent conversions [ABSTRACT FROM AUTHOR]

A recyclable glutamate amine donor system employing transaminase (TA), glutamate dehydrogenase (GluDH) and mutant formate dehydrogenase (FDHm) was developed, wherein amine donor Glu was regenerated using GluDH and thereby circumvented the inhibition of TA by α‐ketoglutarate. Various enantiopure β‐, γ‐amino acids, and amines were successfully synthesized with high conversions and excellent enantiomeric excess using this system. Donate amines: A recyclable glutamate amine donor system employing transaminase (TA), glutamate dehydrogenase (GluDH) and mutant formate dehydrogenase (FDHm) was developed for the synthesis of enantiopure β‐, and γ‐amino acids [ABSTRACT FROM AUTHOR]

Traditional methods of chemical synthesis of alkaloids exhibit various problems such as lack of enantioselectivity, the use of toxic chemical and intermediates, and multiple numbers of synthetic steps. Consequently, various enzymatic methods for the formation of C−C bonds in the alkaloid skeleton have been developed. Herein, we report advances achieved in the enzymatic or chemo‐enzymatic synthesis of pharmaceutically important alkaloids that employ three C−C bond forming enzymes: two Pictet‐Spenglerases and the oxidative C−C bond forming flavoenzyme Berberine Bridge Enzyme. Protein engineering studies, improving the substrate scope of these enzymes, and thereby leading to the synthesis of non‐natural alkaloids possessing higher or newer pharmacological activities, are also discussed. Furthermore, the integration of these biocatalysts with other enzymes, in multi‐enzymatic cascades for the enantioselective synthesis of alkaloids, is also reviewed. Current results suggest that these enzymes hold great promise for the generation of C−C bonds in the selective synthesis of alkaloid compounds possessing diverse pharmacological properties. Enzymes for alkaloids: This review provides a comprehensive account of three important C−C bond forming enzymes, the Pictet‐Spenglerases Strictosidine synthase (STR) and Norcoclaurine synthase (NCS), and the oxidative C−C bond forming flavoenzyme Berberine Bridge Enzyme (BBE). Advances achieved in the enzymatic and chemo‐enzymatic synthesis of pharmaceutically important alkaloids are discussed. [ABSTRACT FROM AUTHOR]

Disruption of Pseudomonas putida KT2440 by ultrasound treatment in a bath sonicator, in presence of the glass beads, was carried out for the release of arginine deiminase (ADI) and the results were compared with that of by Dyno‐mill. The release of ADI depended mainly on the bead size and cellmass concentration being disrupted in bead mill. Nearly 23 U mL−1 ADI was released when slurry with a cell‐mass concentration of 250 g L−1 was disintegrated for 9 min with 80% bead loading (0.25 mm) in Dyno‐mill. Marginally higher amount of ADI (24.1 U mL−1) was released by the bath sonication of 250 g L−1 cellmass slurry for 30 min with the beads (0.1 mm) and a sonication power of 170 W. The glass beads, suspended along with the cellmass slurry in bath sonicator, efficiently disrupted the microbial cells to release ADI. Variation in the kinetic constants for the performance parameters implied that ADI release and cell disruption kinetics is a function of disruption technique used and the process variables thereof. Estimation of location factor suggested that selective release of ADI can be achieved. © 2018 American Institute of Chemical Engineers Biotechnol. Prog., 2018 © 2018 American Institute of Chemical Engineers Biotechnol. Prog., 34:1185–1194, 2018 [ABSTRACT FROM AUTHOR]

Sheshanath V. Bhoslae received his PhD from Freie University Berlin (Germany) in supramolecular chemistry under the supervision of Prof. J. H. Fuhrhop in 2004. He then pursued his postdoctoral studies with Prof. S. Matile at University of Geneva (Switzerland) under the auspices of a Roche Foundation Fellowship. This was followed by a stay at Monash University (Australia) for 5 years as an ARC‐APD Fellow. He worked at RMIT University, Melbourne (Australia) for 6 years as ARC‐Future Fellowship. Currently, Prof. Bhosale is working at the Department of Chemistry, Goa University (India) as a UGC‐FRP Professor, His research interests lie in the design and synthesis of π‐functional materials, especially small molecules, for sensing, biomaterials, and supramolecular chemistry applications. So far, Prof. Bhosale has produced 185 research articles and his work has been cited more than 4400 times, giving him an h‐index of 32. He currently serves as an active Editorial Board member for ChemistryOpen. [ABSTRACT FROM AUTHOR]

The Gorlin-Goltz syndrome (GGS) (the nevoid basal cell carcinoma syndrome--NBCCS) is a rare autosomal dominant syndrome caused due to mutations in the PTCH (patched) gene found on chromosome arm 9q. The syndrome, characterized by increased predisposition to develop basal cell carcinoma and associated multiorgan anomalies, has a high level of penetrance and variable expressiveness. GGS is a multidisciplinary problem, early diagnosis of which allows introduction of secondary prophylaxis and following an appropriate treatment to delay the progress of the syndrome. The following report emphasizes the need for awareness of the diagnostic criteria of this syndrome in cases with no typical skin lesions. [ABSTRACT FROM AUTHOR]

This paper presents a regression model to predict the base displacement responses of biaxial base-isolated buildings using independent component analysis. The model proposed utilizes multiple ground motion intensity measures from North American and Japanese earthquakes as inputs, and transforms them into an independent component space using independent component regression (ICR). Unlike other latent variable methods, such as principal component regression, ICR does not readily allow for dimensionality reduction of the components that do not contribute significantly to the explained variance of the original data set. Hence, a whitening-step to transform the correlated variables into uncorrelated ones is introduced prior to performing ICR. Prediction results are presented and compared with the simulation results for two building models with increasing degree of complexity. The results show that the model based on ICR results in good estimates for the base displacement responses, and the standard errors remain relatively small and constant across a range of isolation periods. Copyright © 2009 John Wiley & Sons, Ltd. [ABSTRACT FROM AUTHOR]

To estimate the incidence of maternal morbidity during labour and the puerperium in rural homes, the association with perinatal outcome and the proportion of women needing medical attention.Prospective observational study nested in a neonatal care trial.Thirty-nine villages in the Gadchiroli district, Maharashtra, India.Seven hundred and seventy-two women recruited over a one year period (1995–1996) and followed up from the seventh month in pregnancy to 28 days postpartum (up to 10 visits in total).Observations at home by trained village health workers, validated by a physician. Diagnosis of morbidities by computer program.Direct obstetric complications during labour and the puerperium, breast problems, psychiatric problems and need for medical attention.The incidence of maternal morbidity was 52.6%, 17.7% during labour and 42.9% during puerperium. The most common intrapartum morbidities were prolonged labour (10.1%), prolonged rupture of membranes (5.7%), abnormal presentation (4.0%) and primary postpartum haemorrhage (3.2%). The postpartum morbidities included breast problems (18.4%), secondary postpartum haemorrhage (15.2%), puerperal genital infections (10.2%) and insomnia (7.4%). Abnormal presentation and some puerperal complications (infection, fits, psychosis and breast problems) were significantly associated with adverse perinatal outcomes, but prolonged labour was not. A third of the mothers were in need of medical attention: 15.3% required emergency obstetric care and 24.0% required non-emergency medical attention.Nearly 15% of women who deliver in rural homes potentially need emergency obstetric care. Frequent (43%) postpartum morbidity, and its association with adverse perinatal outcome, suggests the need for home-based postpartum care in developing countries for both mother and baby. [ABSTRACT FROM AUTHOR]

The adverse impacts of particulate air pollution and ground-level ozone on public health and the environment have motivated the development of Canada Wide Standards (CWS) on air quality. In cost-benefit analysis of air-quality options, valuation of reduction in mortality is a critical step as it accounts for almost 80% of the total benefits and any bias in its evaluation can significantly skew the outcome of the analysis. The overestimation of benefits is a source of concern since it has the potential of diverting valuable resources from other needs to support broader health care objectives, education, and social services that contribute to enhanced quality of life. We have developed a framework of reasoning for the assessment of risk-reduction initiatives that would support the public interest and enhance safety and quality of life. This article presents the Life Quality Index (LQI) as a tool to quantify the level of expenditure beyond which it is no longer justifiable to spend resources in the name of safety. It is shown that the LQI is a compound social indicator comprising societal wealth and longevity, and it is also equivalent to a utility function consistent with the basic principles of welfare economics and decision analysis. The LQI approach overcomes several shortcomings of the method used by the CWS Development Committee and provides guidance on the compliance costs that can be justified to meet the Standards. [ABSTRACT FROM AUTHOR]

Esterases, acid phosphatases, leucine aminopeptidases, peroxidases and glutamic-oxalacetic transaminases from extracts made from seeds of Saguaro cactus at different stages of germination were studied using starch gelelectrophoretic techniques. In general, four of the five enzyme systems showed significant increase in the number of isoenzymes and their activity after 72 hours of germination. It is suggested that Saguaro cactus seeds reach their enzymatically most active state between 48 to 72 hours after being placed at optimum moisture conditions at 30°C in continuous light. [ABSTRACT FROM AUTHOR]

Long day photoperiod treatments given to Dancy and Clementine tangerines (Citrus reticulata Blanco.), the Mineota tangelo (C. paradisi Macf. x C. reticulata Blanco.) and the Rubideaux trifoliate (Poncirus trifoliata (L.) Raf.) produced 1.5 to 2.5 times the stem area, total linear growth and number of branches compared to short day treatments. Growing shoot tips were subjected to electrophoretic analyses of the isoenzymic composition of esterases, leucine aminopeptidases, peroxidases and amylases. Differences were observed in the number and activity of the isoenzymes between the short and the long day treated plants of the three Citrus species and Rubideaux trifoliate orange. The possible significance of these differences is discussed in relation to the growth in response to the response to the photoperiodic treatments. [ABSTRACT FROM AUTHOR]

Gel electrophoretic methods and equipment which were devised or modified for rapid and economic application to angiosperm tissues are described. Staining schedules are outlined that proved effective on a wide variety of tissues for elucidation of isoenzymes with the following activities; esterase, peroxidase, catalase, leucine amino peptidase, phosphatase, amylase, and glutamic-oxalacetic-transaminase. Illustrative applications ate discussed. [ABSTRACT FROM AUTHOR]