Developing and implementing computational algorithms for the extraction of specific substructures from molecular graphs (in silico molecule fragmentation) is an iterative process. It involves repeated sequences of implementing a rule set, applying it to relevant structural data, checking the results, and adjusting the rules. This requires a computational workflow with data import, fragmentation algorithm integration, and result visualisation. For a new algorithm, this workflow is normally not available and must be set up individually. In this work, an open Java rich client Graphical User Interface (GUI) application is presented to support the development of new in silico molecule fragmentation algorithms and to make them readily available upon release. The MORTAR (MOlecule fRagmenTAtion fRamework) application visualises fragmentation results of a set of molecules in various ways and provides basic analysis features. Fragmentation algorithms can be integrated as well as developed within MORTAR by using a specific wrapper class. In addition, fragmentation pipelines with any combination of the available fragmentation methods can be executed. Upon release, three fragmentation algorithms are already integrated: ErtlFunctionalGroupsFinder, Sugar Removal Utility, and Scaffold Generator. These algorithms, as well as all cheminformatics functionalities in MORTAR, are implemented based on the Chemistry Development Kit (CDK).

Developing and implementing computational algorithms for the extraction of specific substructures from molecular graphs (in silico molecule fragmentation) is an iterative process. It involves repeated sequences of implementing a rule set, applying it to relevant structural data, checking the results, and adjusting the rules. This requires a computational workflow with data import, fragmentation algorithm integration, and result visualisation. The described workflow is normally unavailable for a new algorithm and must be set up individually. This work presents an open Java rich client Graphical User Interface (GUI) application to support the development of new in silico molecule fragmentation algorithms and make them readily available upon release. The MORTAR (MOlecule fRagmenTAtion fRamework) application visualises fragmentation results of a set of molecules in various ways and provides basic analysis features. Fragmentation algorithms can be integrated and developed within MORTAR by using a specific wrapper class. In addition, fragmentation pipelines with any combination of the available fragmentation methods can be executed. Upon release, three fragmentation algorithms are already integrated: ErtlFunctionalGroupsFinder, Sugar Removal Utility, and Scaffold Generator. These algorithms, as well as all cheminformatics functionalities in MORTAR, are implemented based on the Chemistry Development Kit (CDK).

ÖzKesintili arkus aorta nadir rastlanan, fatal seyirli konjenital kardiyak bir anomali olup, aorta ascendens ile aorta descendens arasındaki bir segmentte atrezinin olması şeklinde tanımlanır ve %98 oranında diğer kardiovasküler anomalilerle birlikte bulunur. Üç tipi mevcuttur. Tip A' da kesinti, a. subclavia sinistra'nın distalindedir. Tip B' de, a. carotis communis sinistra ile a. subclavia sinistra, tip C' de, a. carotis communis sinistra ile a. carotis communis dextra arasındadır. Selçuk Üniversitesi pediatrik kardiyoloji kliniğine başvuran postnatal 5. gününde bir erkek bebeğin çekilen ekokardiyografisinde; truncus brachiocephalicus'un distalinden itibaren tip B kesintili arkus aorta, ventriküler septal defekt, biküspit aorta, patent ductus arteriosus, atrial septal defekt, annulus aorticus hipoplazisi tespit edildi. Bilgisayarlı tomografi anjiyografisinde ise, a. carotis communis sinistra ile a. subclavia sinistra arasında bağlantı olmadığı görüldü. Bu vakada, arcus aorta anomalisi ve eşlik eden diğer kardiovasküler anomalilerin erken tanı ve tedavisinde radyolojik görüntüleme yöntemlerinin önemi vurgulanmaktadır.

Bilateral atresia of the external acoustic meatus is a rare condition. It is a subtype of congenital aural atresia, which comprises a spectrum of developmental ear abnormalities. In this case report, we present the computed tomography (CT) findings of a patient with this congenital anomaly and emphasize the importance of the findings with regard to treatment options. CT revealed bilateral atresia of the external acoustic meatus in coronal and axial sections of an 8-year-old boy was admitted to hospital due to hearing loss. No congenital anomaly was detected in the middle and inner ear structures. Early detection of congenital aural atresia is critical. Speech retardation and accompanying anomalies associated with hearing loss may be seen in these patients. CT is essential for the diagnosis and classification of congenital bilateral aural atresia, identification of concomitant ear anomalies, and determination of the appropriate surgical treatment method.