Comparison of N···I and N···O Halogen Bonds in Organoiodine Cocrystals of Heterocyclic Aromatic Diazine Mono--oxides.

A series of cocrystals of halogen bond donors 1,4-diiodotetrafluorobenzene (-FDIB) and tetraiodoethylene (TIE) with five aromatic heterocyclic diazine mono--oxides based on pyrazine, tetramethylpyrazine, quinoxaline, phenazine, and pyrimidine as halogen bonding acceptors were studied. Structural analysis of the mono--oxides allows comparison of the competitive occurrence of N···I vs O···I interactions and the relative strength and directionality of these two types of interactions. Of the aromatic heterocyclic diazine mono--oxide organoiodine cocrystals examined, six exhibited 1:1 stoichiometry, forming chains that utilized both N···I and O···I interactions.

Halogen, chalcogen, and hydrogen bonding in organoiodine cocrystals of heterocyclic thiones: imidazolidine-2-thione, 2-mercaptobenzimidazole, 2-mercapto-5-methylbenzimidazole, 2-mercaptobenzoxazole, and 2-mercaptobenzothiazole.

Through the combination of heterocyclic thiones with variation in the identity of the heterocyclic elements, namely, imidazolidine-2-thione, 2-mercaptobenzimidazole, 2-mercapto-5-methylbenzimidazole, 2-mercaptobenzoxazole, and 2-mercaptobenzothiazole with the common halogen-bond donors 1,2-, 1,3-, and 1,4-diiodotetrafluorobenzene, 1,3,5-trifluorotriiodobenzene, and tetraiodoethylene, a series of 18 new crystalline structures were characterized. In most cases, N-H..

Colorado Agricultural Workers' Rights of Access to Key Healthcare Providers: A Policy Brief.

Health is a human right. In order to exercise their right to health, agricultural workers need to have access to medical, dental, and behavioral health care. Agricultural workers need to have medical, dental, and behavioral health care available at times and locations that are amenable to their work schedules and worksites.

The reaction of thiourea and 1,3-dimethylthiourea towards organoiodines: oxidative bond formation and halogen bonding.

By varying the halogen-bond-donor molecule, 11 new halogen-bonding cocrystals involving thiourea or 1,3-dimethylthiourea were obtained, namely, 1,3-dimethylthiourea-1,2-diiodo-3,4,5,6-tetrafluorobenzene (1/1), CFI·CHNS, 1, thiourea-1,3-diiodo-2,4,5,6-tetrafluorobenzene (1/1), CFI·CHNS, 2, 1,3-dimethylthiourea-1,3-diiodo-2,4,5,6-tetrafluorobenzene (1/1), CFI·CHNS, 3, 1,3-dimethylthiourea-1,3-diiodo-2,4,5,6-tetrafluorobenzene-methanol (1/1/1), CFI·CHNS·CHO, 4, 1,3-dimethylthiourea-1,3-diiodo-2,4,5,6-tetrafluorobenzene-ethanol (1/1/1), CFI·CHNS·CHO, 5, 1,3-dimethylthiourea-1,4-diiodo-2,3,5,6-tetrafluorobenzene (1/1), CFI·CHNS, 6, 1,3-dimethylthiourea-1,3,5-trifluoro-2,4,6-triiodobenzene (1/1), CFI·CHNS, 7, 1,3-dimethylthiourea-1,1,2,2-tetraiodoethene (1/1), CHNS·CI, 8, [(dimethylamino)methylidene](1,2,2-triiodoethenyl)sulfonium iodide-1,1,2,2-tetraiodoethene-acetone (1/1/1), CHINS·I·CHO·CI, 9, 2-amino-4-methyl-1,3-thiazol-3-ium iodide-1,1,2,2-tetraiodoethene (2/3), 2CHNS·2I·3CI, 10, and 4,4-dimethyl-4H-1,3,5-thiadiazine-3,5-diium diiodide-1,1,2,2-tetraiodoethene (2/3), 2CHNS·4I·3CI, 11. When utilizing the common halogen-bond-donor molecules 1,2-, 1,3-, and 1,4-diiodotetrafluorobenzene, as well as 1,3,5-trifluoro-2,4,6-triiodobenzene, bifurcated I..

Polymorphism, Halogen Bonding, and Chalcogen Bonding in the Diiodine Adducts of 1,3- and 1,4-Dithiane.

Through variations in reaction solvent and stoichiometry, a series of S-diiodine adducts of 1,3- and 1,4-dithiane were isolated by direct reaction of the dithianes with molecular diiodine in solution. In the case of 1,3-dithiane, variations in reaction solvent yielded both the equatorial and the axial isomers of S-diiodo-1,3-dithiane, and their solution thermodynamics were further studied via DFT. Additionally, S,S'-bis(diiodo)-1,3-dithiane was also isolated.

Halogen Bonding in Dithiane/Iodofluorobenzene Mixtures: A New Class of Hydrophobic Deep Eutectic Solvents.

While research into deep eutectic solvents (DESs) has expanded over the previous two decades, the focus has remained on the utilization of hydrogen bond donors in these systems. Additionally, the majority of the known DESs rely on at least one ionic component. Through the combination of 1,3-dithiane and 1,2-diiodo-3,4,5,6-tetrafluorobenzene (1,2-F DIB), we report the first known DES based on halogen bonding.

Crystal Engineering Using Polyiodide Halogen and Chalcogen Bonding to Isolate the Phenothiazinium Radical Cation and Its Rare Dimer, 10-(3-Phenothiazinylidene)phenothiazinium.

Utilizing facile one-electron oxidation of 10H-phenothiazine by molecular diiodine, the solid-state structure of the 10H-phenothiazinium radical cation was obtained in three cation:iodide ratios, as well as its THF and acetone solvates. Oxidation of 10H-phenothiazine with molecular diiodine in DMSO or DMF provided the structure of the radical coupling product 10-(3-phenothiazinyldene)phenothiazinium, which has not been crystallographically characterized to date. The radical cations were balanced by a mixture (I ) , (I ) , (I ) , and I anions, where a variety of chalcogen, halogen, and hydrogen bonding interactions stabilize the structures to reveal these interesting cationic species.

Halogen Bonding of Organoiodines and Triiodide Anions in (NMe Ph) Salts.

To study the role of the triiodide (I ) anion in establishing various halogen bonding patterns, the trimethylphenylammonium iodide (NMe PhI) salt was reacted with diiodine (I ) in the presence of a series of organoiodines, tetraiodoethylene (TIE), 1,2-diiodo-3,4,5,6-tetrafluorobenzene (o-F DIB), 1,4-diiodo-2,3,5,6-tetrafluorobenzene (p-F DIB), and 1,3,5-trifluoro-2,4,6-triiodobenzene (1,3,5-F I B) to form cocrystals of the organoiodines with the trimethylphenylammonium triiodide (NMe PhI ) salt. Single-crystal X-ray crystallography revealed the (I ) anion served as a halogen bond acceptor for the organoiodine donors, forming a variety of 1-D, 2-D, and 3-D packing arrangements through I⋅⋅⋅I halogen bonding. Significant asymmetry was observed within the (I ) anion.

Halogen and Chalcogen Bonding Between the Triphenylphosphine Chalcogenides (Ph P=E; E=O, S, Se) and Iodofluorobenzenes.

A series of cocrystals of Ph P=E (E=O, S, Se) with organoiodines were studied to understand the roles of noncovalent interactions including chalcogen (ChB) and halogen (XB) bonding in their formation. The structure of the cocrystal of Ph P=S and 1,2-diiodotetrafluorobezene was determined, which demonstrates a similar chalcogen⋅⋅⋅iodine XB pattern to the previously reported isomorphic Ph P=Se structure. The cocrystalline structures resulting from the combination of 1,3-diiodotetrafluorobenzene (1,3-F DIB), as well as iodopentafluorobenzene, with all three triphenylphosphine chalcogenides, were also determined.

Detecting and correlating bacterial populations to visual color change of polydiacetylene-coated filters.

Membrane filters were coated with 10,12-pentacosadiynoic acid (PCDA) then polymerized on the filter for rapid bacterial detection and quantification. The polymerized PCDA (pPDCA)-coated filter changed color in response to Salmonella Typhimurium and Escherichia coli but not to Listeria innocua. The time required for color change of pPCDA-coated filters was determined by a visual panel.

Single-crystal X-ray diffraction dataset for 3,5-difluoro-2,6-bis(4-iodophenoxy)-4-phenoxypyridine.

The data in this article are related to the research article "Utilizing the Regioselectivity of Perfluoropyridine towards the Preparation of Phenyoxyacetylene Precursors for Partially Fluorinated Polymers of Diverse Architecture." The X-ray structure analysis of 3,5-difluoro-2,6-bis(4-iodophenoxy)-4-phenoxypyridine has revealed an asymmetric unit containing two molecules, linked via both Type I and Type II C-I∙∙∙I-C halogen bonding interactions. The packing is further consolidated via Ar-H∙∙∙π interactions.

Superior Capsular Reconstruction With Arthroscopic Rotator Cuff Repair in a "Functional Biologic Augmentation" Technique to Treat Massive Atrophic Rotator Cuff Tears.

Surgical treatment of patients with massive rotator cuff tears is unpredictable because of a low healing rate and high incidence of clinical failure. Arthroscopic superior capsular reconstruction has emerged as a promising technique in treating younger, active patients with massive irreparable rotator cuff tears. Superior capsular insufficiency has been theorized to be a factor in the higher failure rate for repairs of massive tears, and there have been proposals of superior capsular repair in addition to rotator cuff repair to facilitate better healing of massive rotator cuff tears.

Arthroscopic Superior Capsular Reconstruction With Acellular Dermal Allograft Using Push-In Anchors for Glenoid Fixation.

Massive irreparable rotator cuff tears in the younger, active patient can be one of the most challenging pathologies to treat in shoulder surgery. Over the last few years, the superior capsular reconstruction (SCR) technique, which has shown favorable initial clinical results, has emerged as a promising new technique that aims to restore glenohumeral mechanics and improve patient function. SCR can be technically challenging, and improvements have been made consistently to the technique.

Arthroscopic Superior Capsular Reconstruction With Acellular Dermal Allograft for the Treatment of Massive Irreparable Rotator Cuff Tears: Short-Term Clinical Outcomes and the Radiographic Parameter of Superior Capsular Distance.

Purpose: This outcome analysis presents 88 consecutive shoulders presenting with irreparable rotator cuff tears that we treated with arthroscopic superior capsular reconstruction (SCR) using an acellular dermal allograft. We also present the concept of superior capsular distance to quantitatively measure the decreased distance present upon restoration of superior capsular integrity.

Methods: A retrospective review was conducted of patients treated with arthroscopic SCR with a minimum 12-month follow-up.

Tropospheric Emissions: Monitoring of Pollution (TEMPO).

TEMPO was selected in 2012 by NASA as the first Earth Venture Instrument, for launch between 2018 and 2021. It will measure atmospheric pollution for greater North America from space using ultraviolet and visible spectroscopy. TEMPO observes from Mexico City, Cuba, and the Bahamas to the Canadian oil sands, and from the Atlantic to the Pacific, hourly and at high spatial resolution (~2.

Trifluoromethylation of perfluorinated diacylfluorides: synthesis of the diketone CF3C(O)CF2C(O)CF3 and of new perfluorinated diol (CF3)2C(OH)CF2C(OH)(CF3)2.

Perfluoromalonyl difluoride reacts with TMS-CF3 (1:1) in the presence of KF to give the new diketone CF2(C(O)CF3)2. A large excess (5:1) of TMS-CF3 results in the presumed potassium dialkoxide [(CF3)2COK]2CF2 which yields the 1,3-ditertiarydiol [(CF3)2C(OH)]2CF2 on reaction with H2SO4.

Accuracy of a contour-based biplane fluoroscopy technique for tracking knee joint kinematics of different speeds.

While measuring knee motion in all six degrees of freedom is important for understanding and treating orthopaedic knee pathologies, traditional motion capture techniques lack the required accuracy. A variety of model-based biplane fluoroscopy techniques have been developed with sub-millimeter accuracy. However, no studies have statistically evaluated the consistency of the accuracy across motions of varying intensity or between degrees of freedom.

High knee valgus in female subjects does not yield higher knee translations during drop landings: a biplane fluoroscopic study.

The goal of this study was to determine the effects of peak knee valgus angle and peak knee abductor moment on the anterior, medial, and lateral tibial translations (ATT, MTT, LTT) in the "at risk" female knee during drop landing. Fifteen female subjects performed drop landings from 40 cm. Three-dimension knee motion was simultaneously recorded using a high speed, biplane fluoroscopy system, and a video-based motion analysis system.

Relationship of knee shear force and extensor moment on knee translations in females performing drop landings: a biplane fluoroscopy study.

Background: Research has linked knee extensor moment and knee shear force to the non-contact anterior cruciate ligament injury during the landing motion. However, how these biomechanical performance factors relate to knee translations in vivo is not known as knee translations cannot be obtained with traditional motion capture techniques. The purpose of this study was to combine traditional motion capture with high-speed, biplane fluoroscopy imaging to determine relationships between knee extensor moment and knee shear force profiles with anterior and lateral tibial translations occurring during drop landing in female athletes.

Role of the acetabular labrum and the iliofemoral ligament in hip stability: an in vitro biplane fluoroscopy study.

Background: Recent biomechanical reports have described the function of the acetabular labrum and iliofemoral ligament in providing hip stability, but the relative stability provided by each structure has not been well described.

Hypothesis: Both the iliofemoral ligament and acetabular labrum are important for hip stability by limiting external rotation and anterior translation, with increased stability provided by the iliofemoral ligament compared with the acetabular labrum.

Study Design: Controlled laboratory study.